Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 12Herb: 12Ingredient: 1Target: 17Links: 41
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30918
- Core Entity Id
- 37549
- Source Entity Count
- 1
- Preferred Name
- Ephedrine
- Name En
- Pubchem Id
- 5032
- Smiles Canonical
- CC(C(C1=CC=CC=C1)O)NC
- Molecular Formula
- C10H15NO
- Molecular Weight
- 165.2360
- Inchikey
- KWGRBVOPPLSCSI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
- Isomeric Smiles
- CC(C(C1=CC=CC=C1)O)NC
- Cas Id
- Ob Score
- 43.3481
- Mol Logp
- 1.3279
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7080
- Polar Surface Area
- 32.2600
- Molecular Volume
- 146.8000
- Alogp
- 1.2340
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-ephedrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-ephedrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eciphin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Eciphin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ephedrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ephedrine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ephedrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ephedrine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ephedrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pseudoephedrine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pseudoephedrine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pseudoephedrine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Psi-Ephedrin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Psi-ephedrin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Psi-ephedrin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Psi-ephedrin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
pseudoephedrine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
代代花 Citrus aurantium
Role
TCM_name
Source
TCMBank
Preferred
No
Name
山岭麻黄;单子麻黄;中麻黄;双穗麻黄;木贼麻黄;麻黄(草麻黄);丽江麻黄;半夏;西藏中麻黄;膜果麻黄;黄花稔;斑子麻黄;异株矮麻黄;细子麻黄;树状麻黄;藏麻黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
苦蔘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
麻黄;枳壳
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Ephedra equisetina;Ephedra sinica
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
SHAN LING MA HUANG;DAN ZI MA HUANG;ZHONG MA HUANG;SHUANG SUI MA HUANG;MU ZEI MA HUANG;MA HUANG;LI JIANG MA HUANG;BAN XIA;XI ZANG ZHONG MA HUANG;MO GUO MA HUANG;HUANG HUA REN;BAN ZI MA HUANG;YI ZHU AI MA HUANG;XI ZI MA HUANG;SHU ZHUANG MA HUANG;SHAN LING MA HUNG;ZANG MA HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Citrus aurantium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Gerard Ephedra;Oneseed Ephedrac;Intermediate Ephedra;Jointfir Ephedra;Mongolian Ephedra;Chinese Ephedra;Likiang Ephedra;Ternate Pinellia;Tibet Intermediate Ephedra;Przewalsk Ephedra;Acute Sida;Scalyseed Ephedra;Dioecious Small Ephedra ;Regel Ephedra;Tall Ephedra;Cliff Ephedra
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Herba Ephedrae;ZHI KE
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Sophora flavescens
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
()-psi-Ephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
(+)-EPHEDRINE HYDROCHLORIDE
Role
alias
Source
TCMBank
Preferred
No
Name
(+)-Pseudoephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Pseudoephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Pseudoephedrine Hydrochloride 1.0 mg/ml in Methanol (as free base)
Role
alias
Source
TCMBank
Preferred
No
Name
(+)-Pseudoephedrine hydrochloride, >=98%
Role
alias
Source
TCMBank
Preferred
No
Name
(+)-Pseudoephedrine hydrochloride, Sigma Reference Standard
Role
alias
Source
TCMBank
Preferred
No
Name
(+)-threo-Ephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-threo-Ephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-threo-Ephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-(1R,2R)-Pseudoephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-Ephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Pseudoephedrine 1.0 mg/ml in Methanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2R)-(-)-2-(Methylamino)-1-phenylpropanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2R)-2-(methylamino)-1-phenyl-propan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2R)-2-Methylamino-1-phenyl-1-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2R)-Ephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2S)-(-)-2-Methylamino-1-phenyl-1-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2S)-(-)-alpha-(1-Methylaminoethyl)benzenemethanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2S)-(−)-Ephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2S)-(−)-alpha-(1-Methylaminoethyl)benzyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2S)-1-phenyl-1-hydroxy-2-methylaminopropane
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2S)-2-methylamino-1-phenyl-propan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S)-1-Phenyl-2-(methylamino)-1-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2S)-(+)-Pseudoephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2S)-2-(1/4)x degrees +/->>u-1-+/-(1/2)+/-u (1/4) NIEaNI
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2S)-2-(Methylamino)-1-phenyl-1-propanol Hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2S)-2-Methylamino-1-phenyl-1-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2S)-Pseudoephedrine, polymer-bound
Role
alias
Source
TCMBank
Preferred
No
Name
(R-(R*,R*))-alpha-(1-(Methylamino)ethyl)benzyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
(s)-2-methylamino-1-phenylpropan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
1-2-Methylamino-1-phenylpropanol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Phenyl-1-hydroxy-2-methylaminopropane
Role
alias
Source
TCMBank
Preferred
No
Name
1-Phenyl-2-methylaminopropanol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Phenyl-2-methylaminopropanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Sedrin
Role
alias
Source
TCMBank
Preferred
No
Name
1-alpha-(1-Methylaminoethyl)benzyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
1-ephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
134-72-5(SULFATE 2:1)
Role
alias
Source
TCMBank
Preferred
No
Name
134910_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
1S,2S-(+)-Pseudoephedrine hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
2-(Methylamino)-1-phenyl-1-propanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(Methylamino)-1-phenyl-1-propanol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(methylamino)-1-phenylpropan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(methylamino)-1-phenylpropan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methylamino-1-phenyl-1-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
287636_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
287644_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
299-42-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
299-42-3
Role
alias
Source
TCMBank
Preferred
No
Name
299-42-3
Role
alias
Source
HERB_v2
Preferred
No
Name
304-87-0
Role
alias
Source
TCMBank
Preferred
No
Name
30987-59-8
Role
alias
Source
TCMBank
Preferred
No
Name
321-96-0
Role
alias
Source
TCMBank
Preferred
No
Name
321-96-0 (DELETED)
Role
alias
Source
TCMBank
Preferred
No
Name
345-78-8
Role
alias
Source
TCMBank
Preferred
No
Name
345P788
Role
alias
Source
TCMBank
Preferred
No
Name
37577-31-4
Role
alias
Source
TCMBank
Preferred
No
Name
45261_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
50-98-6 (HYDROCHLORIDE)
Role
alias
Source
TCMBank
Preferred
No
Name
50906-05-3 (HEMIHYDRATE)
Role
alias
Source
TCMBank
Preferred
No
Name
53214-57-6
Role
alias
Source
HERB_v2
Preferred
No
Name
53214-57-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
56979-55-6
Role
alias
Source
TCMBank
Preferred
No
Name
6272-89-5
Role
alias
Source
TCMBank
Preferred
No
Name
649031_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
6912-63-6
Role
alias
Source
TCMBank
Preferred
No
Name
6912-63-6 (DELETED)
Role
alias
Source
TCMBank
Preferred
No
Name
6V9V2RYJ8N
Role
alias
Source
TCMBank
Preferred
No
Name
7009-81-6
Role
alias
Source
TCMBank
Preferred
No
Name
82545_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
82547_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
90-82-4
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L1TCY
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L1Y3M
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q3XJM
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q3XJN
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-02761
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-011904
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS002645
Role
alias
Source
TCMBank
Preferred
No
Name
AK402032
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS027383893
Role
alias
Source
TCMBank
Preferred
No
Name
AN-23411
Role
alias
Source
TCMBank
Preferred
No
Name
API0003970
Role
alias
Source
TCMBank
Preferred
No
Name
Actifed Sinus Daytime
Role
alias
Source
TCMBank
Preferred
No
Name
BALXUFOVQVENIU-KXNXZCPBSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
BB_NC-1383
Role
alias
Source
TCMBank
Preferred
No
Name
BG00603638
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_003261
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzenemethanol, alpha-((1R)-1-(methylamino)ethyl)-, (alphaR)-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alpha-S)-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alpha-S)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alphaR)-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, hydrochloride (1:1), (alphaS)-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, hydrochloride, (alphaS)-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-(1-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (-)-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (R-(R*,R*))-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (R-(R*,S*))-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (S-(R*,R*))-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (S-(R*,R*))-, hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(R*,R*))-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(R*,R*))- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(theta,theta))-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenemethanol, hydrochloride, [S-(R*,R*)]-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzyl alcohol, .alpha.-(1-methylaminoethyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzyl alcohol, .alpha.-(1-methylaminoethyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Besan
Role
alias
Source
TCMBank
Preferred
No
Name
Biophedrin
Role
alias
Source
TCMBank
Preferred
No
Name
C-09673
Role
alias
Source
TCMBank
Preferred
No
Name
C-33392
Role
alias
Source
TCMBank
Preferred
No
Name
C01575
Role
alias
Source
TCMBank
Preferred
No
Name
C02765
Role
alias
Source
TCMBank
Preferred
No
Name
C10H15NO.HCl
Role
alias
Source
TCMBank
Preferred
No
Name
CCG-39241
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:15407
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:8604
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1200724
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1620154
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL2110905
Role
alias
Source
TCMBank
Preferred
No
Name
CPDD 0049
Role
alias
Source
TCMBank
Preferred
No
Name
CPDD 0050
Role
alias
Source
TCMBank
Preferred
No
Name
Certified Reference Material
Role
alias
Source
TCMBank
Preferred
No
Name
CoAdvil
Role
alias
Source
TCMBank
Preferred
No
Name
Contac Day & Night Allergy Sinus Day Caplets
Role
alias
Source
TCMBank
Preferred
No
Name
D-(alpha-(1-Methylamino)ethyl)benzyl alcohol hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
D00124
Role
alias
Source
TCMBank
Preferred
No
Name
D00485
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID90185895
Role
alias
Source
TCMBank
Preferred
No
Name
Deconsal II
Role
alias
Source
TCMBank
Preferred
No
Name
Dimetapp Decongestant
Role
alias
Source
TCMBank
Preferred
No
Name
DivK1c_000451
Role
alias
Source
TCMBank
Preferred
No
Name
Dorcol
Role
alias
Source
TCMBank
Preferred
No
Name
EC 206-292-8
Role
alias
Source
TCMBank
Preferred
No
Name
EC 206-462-1
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 202-018-6
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 206-080-5
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 206-292-8
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 206-462-1
Role
alias
Source
TCMBank
Preferred
No
Name
Eciphin
Role
alias
Source
TCMBank
Preferred
No
Name
Efidac 24 Pseudoephedrine Hcl
Role
alias
Source
TCMBank
Preferred
No
Name
Ephedral
Role
alias
Source
TCMBank
Preferred
No
Name
Ephedremal
Role
alias
Source
TCMBank
Preferred
No
Name
Ephedrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ephedrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Ephedrine (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Ephedrine (USP)
Role
alias
Source
TCMBank
Preferred
No
Name
Ephedrine [USAN:BAN]
Role
alias
Source
TCMBank
Preferred
No
Name
Ephedrine l-form
Role
alias
Source
TCMBank
Preferred
No
Name
Ephedrine,(+)
Role
alias
Source
HERB_v2
Preferred
No
Name
Ephedrol
Role
alias
Source
HERB_v2
Preferred
No
Name
Ephedrol
Role
alias
Source
itcmdb_public
Preferred
No
Name
FT-0771224
Role
alias
Source
TCMBank
Preferred
No
Name
First sign
Role
alias
Source
TCMBank
Preferred
No
Name
HMS1920N04
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 3072
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 3177
Role
alias
Source
TCMBank
Preferred
No
Name
Histalet Syrup
Role
alias
Source
TCMBank
Preferred
No
Name
IDI1_000451
Role
alias
Source
TCMBank
Preferred
No
Name
Isoephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isoephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Isoephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
Isoephedrine Hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
KBio1_000451
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_001358
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_003926
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_006494
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_002762
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_001763
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_001358
Role
alias
Source
TCMBank
Preferred
No
Name
L(+)-psi-Ephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
L-(+)-Pseudoephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
L-(+)-Pseudoephedrine hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
L-(-)-Ephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
L-erythro-2-(methylamino)-1-phenylpropan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
LS-125921
Role
alias
Source
TCMBank
Preferred
No
Name
LS-125924
Role
alias
Source
TCMBank
Preferred
No
Name
Lexofedrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Lexofedrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lopac-E-3250
Role
alias
Source
TCMBank
Preferred
No
Name
Lopac0_000501
Role
alias
Source
TCMBank
Preferred
No
Name
MLS000069657
Role
alias
Source
TCMBank
Preferred
No
Name
MLS001304069
Role
alias
Source
TCMBank
Preferred
No
Name
Mandrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Mandrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00015408-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_002955
Role
alias
Source
TCMBank
Preferred
No
Name
NINDS_000451
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 170951
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 8971
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-106567
Role
alias
Source
TCMBank
Preferred
No
Name
NSC33634
Role
alias
Source
TCMBank
Preferred
No
Name
NSC759616
Role
alias
Source
TCMBank
Preferred
No
Name
Nexafed
Role
alias
Source
TCMBank
Preferred
No
Name
Novafed
Role
alias
Source
TCMBank
Preferred
No
Name
Opera_ID_462
Role
alias
Source
TCMBank
Preferred
No
Name
Ornex and Maximum Strength Ornex
Role
alias
Source
TCMBank
Preferred
No
Name
Otrinol
Role
alias
Source
TCMBank
Preferred
No
Name
P1654
Role
alias
Source
TCMBank
Preferred
No
Name
PDSP1_001343
Role
alias
Source
TCMBank
Preferred
No
Name
PDSP1_001346
Role
alias
Source
TCMBank
Preferred
No
Name
PDSP1_001347
Role
alias
Source
TCMBank
Preferred
No
Name
PDSP2_001327
Role
alias
Source
TCMBank
Preferred
No
Name
PDSP2_001330
Role
alias
Source
TCMBank
Preferred
No
Name
PSEUDOEPHEDRINE
Role
alias
Source
TCMBank
Preferred
No
Name
PSEUDOEPHEDRINE HYDROCHLORIDE
Role
alias
Source
TCMBank
Preferred
No
Name
PediaCare Decongestant Drops
Role
alias
Source
TCMBank
Preferred
No
Name
Pharmakon1600-01500516
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoefedrina [INN-Spanish]
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoephedrine (D)
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoephedrine Hcl
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoephedrine hydrochloride (USP)
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoephedrine hydrochloride [USAN:USP]
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoephedrine hydrochloride [USAN]
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoephedrine hydrochloride, British Pharmacopoeia (BP) Reference Standard
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoephedrine hydrochloride, European Pharmacopoeia (EP) Reference Standard
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoephedrine hydrochloride, Pharmaceutical Secondary Standard
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoephedrine hydrochloride, United States Pharmacopeia (USP) Reference Standard
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoephedrine, L-(+)-
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoephedrine, hydrochloride, L-(+)-
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudoephedrinum [INN-Latin]
Role
alias
Source
TCMBank
Preferred
No
Name
Pseudophedrine hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
Psi-ephedrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Psi-ephedrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Psi-ephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Psi-ephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rhinalair
Role
alias
Source
TCMBank
Preferred
No
Name
S76J9U46ST
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL33285
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL8098202
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000059174
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000718787
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_001365
Role
alias
Source
TCMBank
Preferred
No
Name
SPECTRUM1500516
Role
alias
Source
TCMBank
Preferred
No
Name
Sanedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Sanedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sine-Off Maximum Strength No Drowsiness Formula Caplets
Role
alias
Source
TCMBank
Preferred
No
Name
Sinufed
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum2_001303
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_001771
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_001162
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum5_000650
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_000878
Role
alias
Source
TCMBank
Preferred
No
Name
Sudafed (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Sudafed 12 Hour
Role
alias
Source
TCMBank
Preferred
No
Name
Sudafed 24 Hour
Role
alias
Source
TCMBank
Preferred
No
Name
Sudafed Liquid, Children's
Role
alias
Source
TCMBank
Preferred
No
Name
Sudafed hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
Sudomyl
Role
alias
Source
TCMBank
Preferred
No
Name
Sun mark sinus
Role
alias
Source
TCMBank
Preferred
No
Name
Suphedrine
Role
alias
Source
TCMBank
Preferred
No
Name
Symptom 2
Role
alias
Source
TCMBank
Preferred
No
Name
Topcare 12 hour decongestant
Role
alias
Source
TCMBank
Preferred
No
Name
Tussaphed
Role
alias
Source
TCMBank
Preferred
No
Name
Tylenol Sinus Medication, Maximum Strength
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-6V9V2RYJ8N
Role
alias
Source
TCMBank
Preferred
No
Name
W-106727
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: QYR & Y1 & M1 & GH-L
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-(1-(Methylamino)ethyl)benzenemethanol
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-(1-(Methylamino)ethyl)benzyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Hydroxy-beta-methyl amine propylbenzene
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Hydroxy-beta-methylaminopropylbenzene
Role
alias
Source
TCMBank
Preferred
No
Name
d-I+/-Ae>>AE(1/4)i NIEaNI
Role
alias
Source
TCMBank
Preferred
No
Name
d-Isoephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
d-Isoephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
d-Isoephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
d-OiAe>>AE(1/4)i NIEaNI
Role
alias
Source
TCMBank
Preferred
No
Name
d-Pseudoephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
d-Pseudoephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
d-Pseudoephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
d-Pseudoephedrine hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
d-psi-2-Methylamino-1-phenyl-1-propanol
Role
alias
Source
TCMBank
Preferred
No
Name
d-psi-Ephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
d-psi-Ephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
d-psi-Ephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
ephedine
Role
alias
Source
TCMBank
Preferred
No
Name
ephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
l-(1R,2R)-Pseudoephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
l-Ephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
l-Ephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
l-alpha-(1-Methylaminoethyl)benzyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
psi-Ephedrine Hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
racephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
racephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-Ephedrine
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-Ephedrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-Ephedrine
Role
alias
Source
TCMBank
Preferred
No
Name
x-Ae>>AE(1/4)i NIEaNI
Role
alias
Source
TCMBank
Preferred
No
Name
1.解表药(28-28)
Role
level1_name
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
6.消食药(8-8)
Role
level1_name
Source
TCMBank
Preferred
No
Name
digestant medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
exterior-releasing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.发散风寒药(16-16)
Role
level2_name
Source
TCMBank
Preferred
No
Name
2.清热燥湿药(10-10)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and dampness-drying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
wind-cold-dispersing
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-ephedrineEciphinPseudoephedrinePsi-Ephedrin代代花 Citrus aurantium山岭麻黄;单子麻黄;中麻黄;双穗麻黄;木贼麻黄;麻黄(草麻黄);丽江麻黄;半夏;西藏中麻黄;膜果麻黄;黄花稔;斑子麻黄;异株矮麻黄;细子麻黄;树状麻黄;藏麻黄苦蔘麻黄;枳壳Ephedra equisetina;Ephedra sinicaSHAN LING MA HUANG;DAN ZI MA HUANG;ZHONG MA HUANG;SHUANG SUI MA HUANG;MU ZEI MA HUANG;MA HUANG;LI JIANG MA HUANG;BAN XIA;XI ZANG ZHONG MA HUANG;MO GUO MA HUANG;HUANG HUA REN;BAN ZI MA HUANG;YI ZHU AI MA HUANG;XI ZI MA HUANG;SHU ZHUANG MA HUANG;SHAN LING MA HUNG;ZANG MA HUANGCitrus aurantiumGerard Ephedra;Oneseed Ephedrac;Intermediate Ephedra;Jointfir Ephedra;Mongolian Ephedra;Chinese Ephedra;Likiang Ephedra;Ternate Pinellia;Tibet Intermediate Ephedra;Przewalsk Ephedra;Acute Sida;Scalyseed Ephedra;Dioecious Small Ephedra ;Regel Ephedra;Tall Ephedra;Cliff EphedraHerba Ephedrae;ZHI KESophora flavescens()-psi-Ephedrine(+)-EPHEDRINE HYDROCHLORIDE(+)-Pseudoephedrine(+)-Pseudoephedrine Hydrochloride 1.0 mg/ml in Methanol (as free base)(+)-Pseudoephedrine hydrochloride, >=98%(+)-Pseudoephedrine hydrochloride, Sigma Reference Standard(+)-threo-Ephedrine(-)-(1R,2R)-Pseudoephedrine(-)-Ephedrine(-)-Pseudoephedrine 1.0 mg/ml in Methanol(1R,2R)-(-)-2-(Methylamino)-1-phenylpropanol(1R,2R)-2-(methylamino)-1-phenyl-propan-1-ol(1R,2R)-2-Methylamino-1-phenyl-1-propanol(1R,2R)-Ephedrine(1R,2S)-(-)-2-Methylamino-1-phenyl-1-propanol(1R,2S)-(-)-alpha-(1-Methylaminoethyl)benzenemethanol(1R,2S)-(−)-Ephedrine(1R,2S)-(−)-alpha-(1-Methylaminoethyl)benzyl alcohol(1R,2S)-1-phenyl-1-hydroxy-2-methylaminopropane(1R,2S)-2-methylamino-1-phenyl-propan-1-ol(1S)-1-Phenyl-2-(methylamino)-1-propanol(1S,2S)-(+)-Pseudoephedrine(1S,2S)-2-(1/4)x degrees +/->>u-1-+/-(1/2)+/-u (1/4) NIEaNI(1S,2S)-2-(Methylamino)-1-phenyl-1-propanol Hydrochloride(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride(1S,2S)-2-Methylamino-1-phenyl-1-propanol(1S,2S)-Pseudoephedrine, polymer-bound(R-(R*,R*))-alpha-(1-(Methylamino)ethyl)benzyl alcohol(s)-2-methylamino-1-phenylpropan-1-ol1-2-Methylamino-1-phenylpropanol1-Phenyl-1-hydroxy-2-methylaminopropane1-Phenyl-2-methylaminopropanol1-Sedrin1-alpha-(1-Methylaminoethyl)benzyl alcohol134-72-5(SULFATE 2:1)134910_ALDRICH1S,2S-(+)-Pseudoephedrine hydrochloride2-(Methylamino)-1-phenyl-1-propanol2-(methylamino)-1-phenylpropan-1-ol2-Methylamino-1-phenyl-1-propanol287636_ALDRICH287644_ALDRICH299-42-3304-87-030987-59-8321-96-0321-96-0 (DELETED)345-78-8345P78837577-31-445261_FLUKA50-98-6 (HYDROCHLORIDE)50906-05-3 (HEMIHYDRATE)53214-57-656979-55-66272-89-5649031_ALDRICH6912-63-66912-63-6 (DELETED)6V9V2RYJ8N7009-81-682545_FLUKA82547_FLUKA90-82-4AC1L1TCYAC1L1Y3MAC1Q3XJMAC1Q3XJNAI3-02761AIDS-011904AIDS002645AK402032AKOS027383893AN-23411API0003970Actifed Sinus DaytimeBALXUFOVQVENIU-KXNXZCPBSA-NBB_NC-1383BG00603638BSPBio_003261Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-Benzenemethanol, alpha-((1R)-1-(methylamino)ethyl)-, (alphaR)-Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alpha-S)-Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alpha-S)- (9CI)Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, (alphaR)-Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, hydrochloride (1:1), (alphaS)-Benzenemethanol, alpha-((1S)-1-(methylamino)ethyl)-, hydrochloride, (alphaS)-Benzenemethanol, alpha-(1-Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (-)-Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (R-(R*,R*))-Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (R-(R*,S*))-Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (S-(R*,R*))-Benzenemethanol, alpha-(1-(methylamino)ethyl)-, (S-(R*,R*))-, hydrochlorideBenzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(R*,R*))-Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(R*,R*))- (9CI)Benzenemethanol, alpha-(1-(methylamino)ethyl)-, hydrochloride, (S-(theta,theta))-Benzenemethanol, hydrochloride, [S-(R*,R*)]-Benzyl alcohol, .alpha.-(1-methylaminoethyl)-BesanBiophedrinC-09673C-33392C01575C02765C10H15NO.HClCCG-39241CHEBI:15407CHEBI:8604CHEMBL1200724CHEMBL1620154CHEMBL2110905CPDD 0049CPDD 0050Certified Reference MaterialCoAdvilContac Day & Night Allergy Sinus Day CapletsD-(alpha-(1-Methylamino)ethyl)benzyl alcohol hydrochlorideD00124D00485DTXSID90185895Deconsal IIDimetapp DecongestantDivK1c_000451DorcolEC 206-292-8EC 206-462-1EINECS 202-018-6EINECS 206-080-5EINECS 206-292-8EINECS 206-462-1Efidac 24 Pseudoephedrine HclEphedralEphedremalEphedrinEphedrine (TN)Ephedrine (USP)Ephedrine [USAN:BAN]Ephedrine l-formEphedrine,(+)EphedrolFT-0771224First signHMS1920N04HSDB 3072HSDB 3177Histalet SyrupIDI1_000451IsoephedrineIsoephedrine HydrochlorideKBio1_000451KBio2_001358KBio2_003926KBio2_006494KBio3_002762KBioGR_001763KBioSS_001358L(+)-psi-EphedrineL-(+)-PseudoephedrineL-(+)-Pseudoephedrine hydrochlorideL-(-)-EphedrineL-erythro-2-(methylamino)-1-phenylpropan-1-olLS-125921LS-125924LexofedrinLopac-E-3250Lopac0_000501MLS000069657MLS001304069MandrinNCGC00015408-01NCI60_002955NINDS_000451NSC 170951NSC 8971NSC-106567NSC33634NSC759616NexafedNovafedOpera_ID_462Ornex and Maximum Strength OrnexOtrinolP1654PDSP1_001343PDSP1_001346PDSP1_001347PDSP2_001327PDSP2_001330PSEUDOEPHEDRINE HYDROCHLORIDEPediaCare Decongestant DropsPharmakon1600-01500516Pseudoefedrina [INN-Spanish]Pseudoephedrine (D)Pseudoephedrine HclPseudoephedrine hydrochloride (USP)Pseudoephedrine hydrochloride [USAN:USP]Pseudoephedrine hydrochloride [USAN]Pseudoephedrine hydrochloride, British Pharmacopoeia (BP) Reference StandardPseudoephedrine hydrochloride, European Pharmacopoeia (EP) Reference StandardPseudoephedrine hydrochloride, Pharmaceutical Secondary StandardPseudoephedrine hydrochloride, United States Pharmacopeia (USP) Reference StandardPseudoephedrine, L-(+)-Pseudoephedrine, hydrochloride, L-(+)-Pseudoephedrinum [INN-Latin]Pseudophedrine hydrochloridePsi-ephedrineRhinalairS76J9U46STSCHEMBL33285SCHEMBL8098202SMR000059174SMR000718787SPBio_001365SPECTRUM1500516SanedrineSine-Off Maximum Strength No Drowsiness Formula CapletsSinufedSpectrum2_001303Spectrum3_001771Spectrum4_001162Spectrum5_000650Spectrum_000878Sudafed (TN)Sudafed 12 HourSudafed 24 HourSudafed Liquid, Children'sSudafed hydrochlorideSudomylSun mark sinusSuphedrineSymptom 2Topcare 12 hour decongestantTussaphedTylenol Sinus Medication, Maximum StrengthUNII-6V9V2RYJ8NW-106727WLN: QYR & Y1 & M1 & GH-Lalpha-(1-(Methylamino)ethyl)benzenemethanolalpha-(1-(Methylamino)ethyl)benzyl alcoholalpha-Hydroxy-beta-methyl amine propylbenzenealpha-Hydroxy-beta-methylaminopropylbenzened-I+/-Ae>>AE(1/4)i NIEaNId-Isoephedrined-OiAe>>AE(1/4)i NIEaNId-Pseudoephedrined-Pseudoephedrine hydrochlorided-psi-2-Methylamino-1-phenyl-1-propanold-psi-Ephedrineephedinehydrochloridel-(1R,2R)-Pseudoephedrinel-Ephedrinel-alpha-(1-Methylaminoethyl)benzyl alcoholpsi-Ephedrine Hydrochlorideracephedrinetrans-Ephedrinex-Ae>>AE(1/4)i NIEaNI1.解表药(28-28)2.清热药(64-64)6.消食药(8-8)digestant medicinalexterior-releasing medicinalheat-clearing medicinal1.发散风寒药(16-16)2.清热燥湿药(10-10)heat-clearing and dampness-drying medicinalwind-cold-dispersing
Cross References
Trusted external identifiers retained for this final record.
Cas
299-42-330987-59-8
Herb
HBIN002509HBIN024455HBIN024821HBIN025226HBIN025241HBIN041019HBIN041020HBIN041100
Npass
NPC147000NPC226778NPC286400
Tcmid
2429624443245796814
Tcmsp
MOL006594MOL006637
Sym Map
SMIT08189SMIT08219SMIT15245SMIT18578SMIT18614
Tcm Id
1158711588115891219712198121991220013992139931399415061937624618461046179828
Pub Chem
503270287029703070317032703370349294
Tcmbank
TCMBANKIN024333TCMBANKIN052804TCMBANKIN054342TCMBANKIN054424TCMBANKIN059078
Drug Bank
DB00852
Etcm Ingredient
(-)-ephedrineEciphinEphedrine
Itcmdb Generated
ITX-INGREDIENT-2381B938A3C7ITX-INGREDIENT-33871A2D712DITX-INGREDIENT-53A0DEC86D7EITX-INGREDIENT-5842DDDFEFD6ITX-INGREDIENT-9037B259AD84ITX-INGREDIENT-96CC11E8E2FCITX-INGREDIENT-A9E8EEE93D84ITX-INGREDIENT-C756A00890FBITX-INGREDIENT-D5CA2144AF2BITX-INGREDIENT-EA0ECEC48172
Attributes
Merged source attributes and domain-specific metadata.
Ic
2.85538
Jx
2.65771
Jy
2.72748
Bic
0.73085
Cic
0.72957
Phi
3.25867
Sic
0.79649
Log D
0.055
Sc 0
12
Sc 1
12
Sc 2
15
Type
Blood ingredients,Other ingredientsOther ingredients
Alog P
1.234
Chi 0
8.97469
Chi 1
5.75321
Chi 2
4.64273
In Ch I
InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1
Mol Wt
165.236
Pmi X
37.961737.964637.967641.4032
Energy
13.5613.8514.24
Sc 3 C
3
Sc 3 P
18
Smiles
CC(C(C1=CC=CC=C1)O)NCc1([C@@]([C@](N([H])C([H])([H])[H])(C([H])([H])[H])[H])([H])O[H])c([H])c([H])c([H])c([H])c1[H]c1([H])c([H])c([C@@]([H])(O[H])[C@@]([H])(N([H])C([H])([H])[H])C([H])([H])[H])c([H])c([H])c1[H]c1([H])c([H])c([C@]([H])(O[H])[C@@]([H])(N([H])C([H])([H])[H])C([H])([H])[H])c([H])c([H])c1[H]c1([H])c([H])c([C@]([H])([C@]([H])(N([H])C([H])([H])[H])C([H])([H])[H])O[H])c([H])c([H])c1[H]
Zagreb
54
37 Flag
37
Chi 3 C
0.59481
Chi 3 P
3.93491
Chi V 0
7.48866
Chi V 1
4.15691
Chi V 2
2.93287
C Count
10
Kappa 1
10.0833
Kappa 2
4.88888
Kappa 3
2.77777
Mol Log P
1.3279
N Count
1
O Count
1
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
49.686
Chi 3 Ch
0
Dipole X
-0.20819-0.20825-0.352890.86409
Dipole Y
-0.73224-0.87761-0.877780.25752
Dipole Z
-0.18957-0.77425-0.77460.77416
Iac Mean
1.35404
In Ch Ikey
KWGRBVOPPLSCSI-UHFFFAOYSA-NKWGRBVOPPLSCSI-WCBMZHEXSA-NKWGRBVOPPLSCSI-WPRPVWTQSA-N
Is Chiral
0
Ob Score
43.3480933652.2552.2504457852.250446;45.013212;43.348093
Suppress
0
Tcm Name
代代花 Citrus aurantium山岭麻黄;单子麻黄;中麻黄;双穗麻黄;木贼麻黄;麻黄(草麻黄);丽江麻黄;半夏;西藏中麻黄;膜果麻黄;黄花稔;斑子麻黄;异株矮麻黄;细子麻黄;树状麻黄;藏麻黄苦蔘麻黄;枳壳
Admet Bbb
-0.305
Chi V 3 C
0.33742
Chi V 3 P
2.07004
Es Sum D O
0
Es Sum T N
0
E Adj Equ
106.313
E Adj Mag
147.207
Hba Count
0
Hbd Count
2
Iac Total
36.5593
Jurs Rasa
0.853140.85610.860010.86012
Jurs Rncg
0.35781
Jurs Rncs
12.80512.958313.1116
Jurs Rpcg
0.73478
Jurs Rpcs
7.276248.16359
Jurs Rpsa
0.139870.139980.143890.14685
Jurs Sasa
332.471332.927333.752335.324
Jurs Tasa
284.035285.726285.967288.382
Jurs Tpsa
46.50446.941448.026248.8922
Num Atoms
12
Num Bonds
12
Num Rings
1
Shadow Xy
48.488148.522748.526150.7599
Shadow Xz
30.445633.277433.312733.3132
Shadow Yz
21.694322.847122.847622.8486
Shadow Nu
2.051762.052042.052062.46268
Tcm Name2
Ephedra equisetina;Ephedra sinicaSHAN LING MA HUANG;DAN ZI MA HUANG;ZHONG MA HUANG;SHUANG SUI MA HUANG;MU ZEI MA HUANG;MA HUANG;LI JIANG MA HUANG;BAN XIA;XI ZANG ZHONG MA HUANG;MO GUO MA HUANG;HUANG HUA REN;BAN ZI MA HUANG;YI ZHU AI MA HUANG;XI ZI MA HUANG;SHU ZHUANG MA HUANG;SHAN LING MA HUNG;ZANG MA HUANG
V Adj Equ
93.6032
V Adj Mag
110.039
Mol2 Path
/TCM_database/1.解表药(28-28)/1.发散风寒药(16-16)/麻黄/Ephedra equisetina/structure/ephedrine.mol2/TCM_database/2.清热药(64-64)/2.清热燥湿药(10-10)/苦蔘/structure/pseudoephedrine.mol2/TCM_database/2003_3d_all/2722.mol2/TCM_database/6.消食药(8-8)/代代花 Citrus aurantium/3D/Ephedrine.mol2
Reference
4, 658, 660, 5501, 5507, 5508
Chi V 3 Ch
0
Dipole Mag
0.834641.188681.18871.18876
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
9.726
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
9.22976
Kappa 2 Am
4.23673
Kappa 3 Am
2.3147
Num Hdonors
2
Num Chains
3
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
1
Num Rings7
0
Num Rings8
0
Es Count D O
0
Es Count T N
0
Es Sum Aa Ch
9.665
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
0.957
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
0
Es Sum S Ch3
3.8
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
3.013
Es Sum Sss N
0
Jurs Dpsa 1
-293.827-295.23-295.591-297.181
Jurs Dpsa 3
30.96531.24731.507631.5948
Jurs Fnsa 1
0.940210.941880.942830.94631
Jurs Fnsa 2
-1.01623-1.01803-1.01906-1.02282
Jurs Fnsa 3
-0.08916-0.08917-0.09047-0.0913
Jurs Fpsa 1
0.053680.057160.058110.05978
Jurs Fpsa 2
0.006860.007310.007430.00764
Jurs Fpsa 3
0.00360.003940.003980.00401
Jurs Pnsa 1
313.149314.671315.054315.277
Jurs Pnsa 2
-338.465-340.11-340.524-340.765
Jurs Pnsa 3
-29.6417-29.8991-30.1926-30.3932
Jurs Ppsa 1
17.872919.080619.322120.0467
Jurs Ppsa 3
1.201551.315091.323291.34788
Jurs Wnsa 1
104.113104.89105.022105.72
Jurs Wnsa 2
-112.53-113.37-113.512-114.267
Jurs Wnsa 3
-10.0259-10.0768-10.1187-9.85501
Jurs Wpsa 1
5.950386.368176.424036.72212
Jurs Wpsa 3
0.400020.438910.439950.45197
Num Pi Bonds
0
Tcm Name En
Citrus aurantiumGerard Ephedra;Oneseed Ephedrac;Intermediate Ephedra;Jointfir Ephedra;Mongolian Ephedra;Chinese Ephedra;Likiang Ephedra;Ternate Pinellia;Tibet Intermediate Ephedra;Przewalsk Ephedra;Acute Sida;Scalyseed Ephedra;Dioecious Small Ephedra ;Regel Ephedra;Tall Ephedra;Cliff EphedraHerba Ephedrae;ZHI KESophora flavescens
Level1 Name
1.解表药(28-28)2.清热药(64-64)6.消食药(8-8)
Level2 Name
1.发散风寒药(16-16)2.清热燥湿药(10-10)
Admet Psa 2 D
33.625
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
1
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
0
Es Sum Ss Nh2
0
Es Sum Sss Ch
-0.331
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
2
Num H Donors
2
Admet Alog P98
1.234
Admet Ext Ppb
-6.77305
Drug Likeness
0.708
Es Count Aa Ch
5
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
1
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
0
Es Count S Ch3
2
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
1
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
2
Num Fragments
1
Num Hydrogens
15
Num Ring Bonds
6
Organic Count
12
Rad Of Gyration
1.940651.940681.940691.95056
Shadow Xyfrac
0.696310.717780.71836
Shadow Xzfrac
0.711730.712580.779
Shadow Yzfrac
0.694040.73289
Strain Energy
14.2214.414.5714.59
Es Count Ss Ch2
0
Es Count Ss Nh2
0
Es Count Sss Ch
2
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
165.115
Molecular Sasa
359.206
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
9.794439.794489.794519.81066
Shadow Ylength
6.896346.896776.896997.43046
Shadow Zlength
3.983714.772994.773054.77366
Level1 Name En
digestant medicinalexterior-releasing medicinalheat-clearing medicinal
Level2 Name En
heat-clearing and dampness-drying medicinalwind-cold-dispersing
Admet Bbb Level
2
Isomeric Smiles
CC(C(C1=CC=CC=C1)O)NCC[C@@H]([C@@H](C1=CC=CC=C1)O)NCC[C@@H]([C@H](C1=CC=CC=C1)O)NC
Molecular Savol
311.598
Molecule Weight
165.26
Num Atom Classes
10
Num Bridge Bonds
0
Num H Acceptors
2
Num Repeat Units
0
Admet Ext Cyp2 D6
-0.537769
Admet Solubility
-1.169
Canonical Smiles
CC(C(C1=CC=CC=C1)O)NC
Herb Alias Names
53214-57-6racephedrine2-(methylamino)-1-phenylpropan-1-ol2-(Methylamino)-1-phenyl-1-propanolBenzenemethanol, .alpha.-[1-(methylamino)ethyl]-1-Phenyl-2-methylaminopropanolBenzyl alcohol, .alpha.-(1-methylaminoethyl)-Ephedrine,(+)Ephedrine, (-)-
Minimized Energy
-0.33-0.55-0.66-0.74
Molecular Weight
165.120
Molecular Volume
146.8147.14149.54151.6
Molecular Weight
165.23165.232
Molecule Formula
C10H15NO
Num Macro Chains
0
Molecular Formula
C10H15NO
Molecular Formula
C10H15NO
Molecular Formula
C10H15NO
Num Rotatable Bonds
3
Num Aromatic Bonds
6
Num Aromatic Rings
1
Num Explicit Atoms
12
Num Explicit Bonds
12
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
3
Molecular Polar Sasa
67.2402
Num Bridge Head Atoms
0
Num Chain Assemblies
1
Num Meso Stereo Atoms
0
Molecular Solubility
-2.11
Admet Ext Hepatotoxic
-10.9407
Admet Unknown Alog P98
0
Molecular Surface Area
194.97
Num Explicit Hydrogens
0
Num H Donors Lipinski
2
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
4
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
2
Molecular Polar Surface Area
32.26
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.187
Admet Ext Ppb Applicability#Md
9.11944
Fda Maximum Daily Dose (Fdamdd)
0.6160.7840.871
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
11.1726
Admet Ext Ppb Applicability#Mdpvalue
0.994582
Molecular Fractional Polar Surface Area
0.165
Admet Ext Hepatotoxic Applicability#Md
6.19307
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.015982
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.999938
Quantitative Estimate Of Drug Likeness（Qed）
0.708