Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 6Herb: 12Ingredient: 1Meta-analysis: 2Target: 15Links: 35
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29072
- Core Entity Id
- 35498
- Source Entity Count
- 1
- Preferred Name
- Papaverine
- Name En
- Pubchem Id
- 4680
- Smiles Canonical
- COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
- Molecular Formula
- C20H21NO4
- Molecular Weight
- 339.3910
- Inchikey
- XQYZDYMELSJDRZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
- Cas Id
- 58-74-2
- Ob Score
- 64.0428
- Mol Logp
- 3.8600
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.6820
- Polar Surface Area
- 49.8100
- Molecular Volume
- 275.4200
- Alogp
- 3.5030
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Papaverine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Papaverine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Papaverine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Papaverine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Papaverine,ban
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Papaverine,ban
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
papaverine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
papaverine,ban
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline
Role
alias
Source
HERB_v2
Preferred
No
Name
1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-isoquinoline
Role
alias
Source
TCMBank
Preferred
No
Name
1-(3,7-dimethoxyisoquinoline hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(3,4-Dimethoxyphenyl)methyl]6,7-dimethoxyisoquinoline
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
1-{[3,4-bis(methyloxy)phenyl]methyl}-6,7-bis(methyloxy)isoquinoline
Role
alias
Source
TCMBank
Preferred
No
Name
23473EC6BQ
Role
alias
Source
TCMBank
Preferred
No
Name
4-[(6,7-Dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene
Role
alias
Source
TCMBank
Preferred
No
Name
4-[(6,7-dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene, chloride
Role
alias
Source
TCMBank
Preferred
No
Name
5-21-06-00182 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
58-74-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
58-74-2
Role
alias
Source
TCMBank
Preferred
No
Name
58-74-2
Role
alias
Source
HERB_v2
Preferred
No
Name
58-74-2 (FREE BASE )
Role
alias
Source
TCMBank
Preferred
No
Name
58-74-2 (Parent)
Role
alias
Source
TCMBank
Preferred
No
Name
6,3',4'-Tetramethoxy-1-benzylisoquinoline hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
6,7,3',4'-Tetramethoxy-1-benzylisoquinoline hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)-isoquinoline hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline
Role
alias
Source
TCMBank
Preferred
No
Name
6,7-Dimethoxy-1-veratrylisoquinoline
Role
alias
Source
TCMBank
Preferred
No
Name
6,7-Dimethoxy-1-veratrylisoquinoline hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
61-25-6
Role
alias
Source
TCMBank
Preferred
No
Name
61-25-6 (HCL)
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L1LRO
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q3DLI
Role
alias
Source
TCMBank
Preferred
No
Name
ACon1_000238
Role
alias
Source
TCMBank
Preferred
No
Name
ACon1_002094
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS000185
Role
alias
Source
TCMBank
Preferred
No
Name
AK-67336
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS005111070
Role
alias
Source
TCMBank
Preferred
No
Name
AOB5339
Role
alias
Source
TCMBank
Preferred
No
Name
API0003748
Role
alias
Source
TCMBank
Preferred
No
Name
ARONIS23834
Role
alias
Source
TCMBank
Preferred
No
Name
AS-13262
Role
alias
Source
TCMBank
Preferred
No
Name
Alapav
Role
alias
Source
TCMBank
Preferred
No
Name
Artegodan
Role
alias
Source
TCMBank
Preferred
No
Name
BAS 00674058
Role
alias
Source
TCMBank
Preferred
No
Name
BBC/116
Role
alias
Source
TCMBank
Preferred
No
Name
BB_NC-0726
Role
alias
Source
TCMBank
Preferred
No
Name
BG00717685
Role
alias
Source
TCMBank
Preferred
No
Name
BG01663857
Role
alias
Source
TCMBank
Preferred
No
Name
BPBio1_000470
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0312930
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_000426
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_002153
Role
alias
Source
TCMBank
Preferred
No
Name
C06533
Role
alias
Source
TCMBank
Preferred
No
Name
C20H22ClNO4
Role
alias
Source
TCMBank
Preferred
No
Name
CAS-61-25-6
Role
alias
Source
TCMBank
Preferred
No
Name
CCG-40065
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 3804
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL98123
Role
alias
Source
TCMBank
Preferred
No
Name
CS-5015
Role
alias
Source
TCMBank
Preferred
No
Name
CTK8G2272
Role
alias
Source
TCMBank
Preferred
No
Name
Cardiospan
Role
alias
Source
TCMBank
Preferred
No
Name
Cardoverina
Role
alias
Source
TCMBank
Preferred
No
Name
Cepaverin
Role
alias
Source
TCMBank
Preferred
No
Name
Ceraspan
Role
alias
Source
TCMBank
Preferred
No
Name
Cerebid
Role
alias
Source
TCMBank
Preferred
No
Name
Cerespan
Role
alias
Source
HERB_v2
Preferred
No
Name
Cerespan
Role
alias
Source
itcmdb_public
Preferred
No
Name
Certified Reference Material
Role
alias
Source
TCMBank
Preferred
No
Name
Chlorhydrate de papaverine [French]
Role
alias
Source
TCMBank
Preferred
No
Name
Copavin
Role
alias
Source
TCMBank
Preferred
No
Name
D02218
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_CID_5825
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_GSID_25825
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_RID_77939
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID9025825
Role
alias
Source
TCMBank
Preferred
No
Name
Delapav
Role
alias
Source
TCMBank
Preferred
No
Name
Dilaves
Role
alias
Source
TCMBank
Preferred
No
Name
Dipav
Role
alias
Source
TCMBank
Preferred
No
Name
Dispamil
Role
alias
Source
TCMBank
Preferred
No
Name
DivK1c_000321
Role
alias
Source
TCMBank
Preferred
No
Name
Drapavel
Role
alias
Source
TCMBank
Preferred
No
Name
Durapav
Role
alias
Source
TCMBank
Preferred
No
Name
Dynovas
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 200-397-2
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 200-502-1
Role
alias
Source
TCMBank
Preferred
No
Name
EU-0100957
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0631269
Role
alias
Source
TCMBank
Preferred
No
Name
Forpavin
Role
alias
Source
TCMBank
Preferred
No
Name
H754
Role
alias
Source
TCMBank
Preferred
No
Name
HMS1569F08
Role
alias
Source
TCMBank
Preferred
No
Name
HMS1920F06
Role
alias
Source
TCMBank
Preferred
No
Name
HY-18077A
Role
alias
Source
TCMBank
Preferred
No
Name
I01-13837
Role
alias
Source
TCMBank
Preferred
No
Name
IDI1_000321
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H
Role
alias
Source
TCMBank
Preferred
No
Name
Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-, hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
Isoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-, hydrochloride (1:1)
Role
alias
Source
TCMBank
Preferred
No
Name
Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Isoquinoline, 6,7-dimethoxy-1-veratryl-
Role
alias
Source
TCMBank
Preferred
No
Name
Isoquinoline, 6,7-dimethoxy-1-veratryl- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Isoquinoline, 6,7-dimethoxy-1-veratryl-(8Cl)
Role
alias
Source
TCMBank
Preferred
No
Name
Isoquinoline, 6,7-dimethoxy-1-veratryl-, hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
Isoquinoline, 6,7-dimethoxy-1-veratryl-, hydrochloride (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Isoquinoline,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
Isoquinoline,7-dimethoxy-1-veratryl-, hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
KB-146860
Role
alias
Source
TCMBank
Preferred
No
Name
KBio1_000321
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_000471
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_003039
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_005607
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_001653
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_000914
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_000471
Role
alias
Source
TCMBank
Preferred
No
Name
LP00957
Role
alias
Source
TCMBank
Preferred
No
Name
LS-267
Role
alias
Source
TCMBank
Preferred
No
Name
Lapav
Role
alias
Source
TCMBank
Preferred
No
Name
Lopac-P-3510
Role
alias
Source
TCMBank
Preferred
No
Name
Lopac0_000957
Role
alias
Source
TCMBank
Preferred
No
Name
MEGxp0_001880
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00012745
Role
alias
Source
TCMBank
Preferred
No
Name
MLS000028497
Role
alias
Source
TCMBank
Preferred
No
Name
MLS001148655
Role
alias
Source
TCMBank
Preferred
No
Name
MLS002222208
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-000-847-203
Role
alias
Source
TCMBank
Preferred
No
Name
Myobid
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015810-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015810-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015810-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015810-12
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094258-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094258-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094258-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094258-04
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094258-05
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094258-06
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00261642-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI-C56359
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_003183
Role
alias
Source
TCMBank
Preferred
No
Name
NINDS_000321
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-35443
Role
alias
Source
TCMBank
Preferred
No
Name
NSC136630
Role
alias
Source
TCMBank
Preferred
No
Name
NSC35443 (HCL)
Role
alias
Source
TCMBank
Preferred
No
Name
NSC757256
Role
alias
Source
TCMBank
Preferred
No
Name
Opera_ID_1617
Role
alias
Source
TCMBank
Preferred
No
Name
Oprea1_387689
Role
alias
Source
TCMBank
Preferred
No
Name
Oprea1_810508
Role
alias
Source
TCMBank
Preferred
No
Name
Optenyl
Role
alias
Source
TCMBank
Preferred
No
Name
P 3510
Role
alias
Source
TCMBank
Preferred
No
Name
P0016
Role
alias
Source
TCMBank
Preferred
No
Name
PAP H
Role
alias
Source
TCMBank
Preferred
No
Name
Pameion
Role
alias
Source
TCMBank
Preferred
No
Name
Pap-Kaps-150
Role
alias
Source
TCMBank
Preferred
No
Name
Papacon
Role
alias
Source
TCMBank
Preferred
No
Name
Papalease
Role
alias
Source
TCMBank
Preferred
No
Name
Papanerin
Role
alias
Source
HERB_v2
Preferred
No
Name
Papanerin
Role
alias
Source
TCMBank
Preferred
No
Name
Papanerin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Papanerin-HCl [German]
Role
alias
Source
TCMBank
Preferred
No
Name
Papanerin-hcl
Role
alias
Source
TCMBank
Preferred
No
Name
Papanerine
Role
alias
Source
TCMBank
Preferred
No
Name
Papanerine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Papanerine
Role
alias
Source
HERB_v2
Preferred
No
Name
Papavarine chlorhydrate
Role
alias
Source
TCMBank
Preferred
No
Name
Papavarine hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverin
Role
alias
Source
HERB_v2
Preferred
No
Name
Papaverin
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Papaverina
Role
alias
Source
itcmdb_public
Preferred
No
Name
Papaverina
Role
alias
Source
HERB_v2
Preferred
No
Name
Papaverina [Italian]
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverine
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverine Hcl
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverine chlorohydrate
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverine hydrochlorid
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverine hydrochloride (JP17/USP)
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverine hydrochloride [USAN:JAN]
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverine hydrochloride [USP:JAN]
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverine hydrochloride, European Pharmacopoeia (EP) Reference Standard
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverine hydrochloride, Pharmaceutical Secondary Standard
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverine hydrochloride, United States Pharmacopeia (USP) Reference Standard
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverine hydrochloride, powder
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverine monohydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverine, hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
Papaverinium chloride
Role
alias
Source
TCMBank
Preferred
No
Name
Papaversan
Role
alias
Source
TCMBank
Preferred
No
Name
Pavabid
Role
alias
Source
HERB_v2
Preferred
No
Name
Pavabid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pavabid (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Pavacap
Role
alias
Source
TCMBank
Preferred
No
Name
Pavacen
Role
alias
Source
TCMBank
Preferred
No
Name
Pavacot
Role
alias
Source
TCMBank
Preferred
No
Name
Pavadel
Role
alias
Source
TCMBank
Preferred
No
Name
Pavagrant
Role
alias
Source
TCMBank
Preferred
No
Name
Pavakey
Role
alias
Source
TCMBank
Preferred
No
Name
Pavased
Role
alias
Source
TCMBank
Preferred
No
Name
Pavatest
Role
alias
Source
TCMBank
Preferred
No
Name
Paverolan
Role
alias
Source
TCMBank
Preferred
No
Name
Paveron
Role
alias
Source
TCMBank
Preferred
No
Name
Pavnell
Role
alias
Source
TCMBank
Preferred
No
Name
Pharmakon1600-01500459
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick0_000583
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick1_000583
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick2_000583
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick3_000583
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick_376
Role
alias
Source
TCMBank
Preferred
No
Name
PubChem6305
Role
alias
Source
TCMBank
Preferred
No
Name
REGID_for_CID_6084
Role
alias
Source
TCMBank
Preferred
No
Name
RS 47
Role
alias
Source
TCMBank
Preferred
No
Name
Ro-Papav
Role
alias
Source
TCMBank
Preferred
No
Name
Robaxapap
Role
alias
Source
itcmdb_public
Preferred
No
Name
Robaxapap
Role
alias
Source
TCMBank
Preferred
No
Name
Robaxapap
Role
alias
Source
HERB_v2
Preferred
No
Name
S-M-R
Role
alias
Source
TCMBank
Preferred
No
Name
SBB080541
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL121268
Role
alias
Source
TCMBank
Preferred
No
Name
SDCCGMLS-0003037.P003
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000058283
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_001015
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_002645
Role
alias
Source
TCMBank
Preferred
No
Name
SPECTRUM1500459
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000003098
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000003098-11
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000003098-2
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000003098-4
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000003098-9
Role
alias
Source
TCMBank
Preferred
No
Name
ST023301
Role
alias
Source
TCMBank
Preferred
No
Name
ST077145
Role
alias
Source
TCMBank
Preferred
No
Name
Spasmo-Nit
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum2_000978
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_000537
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_000467
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum5_001188
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_000071
Role
alias
Source
TCMBank
Preferred
No
Name
TNP00305
Role
alias
Source
TCMBank
Preferred
No
Name
TR-031684
Role
alias
Source
TCMBank
Preferred
No
Name
Therapav
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_110226
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_110226_1
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_500957
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-23473EC6BQ
Role
alias
Source
TCMBank
Preferred
No
Name
UOTMYNBWXDUBNX-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
Vasal
Role
alias
Source
TCMBank
Preferred
No
Name
Vaso-Pav
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: T66 CNJ B1R CO1 DO1& HO1 IO1
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: T66 CNJ B1R CO1 DO1& HO1 IO1 &GH
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00056555
Role
alias
Source
TCMBank
Preferred
No
Name
component of Copavin
Role
alias
Source
TCMBank
Preferred
No
Name
hydrochloride
Role
alias
Source
TCMBank
Preferred
No
Name
罂粟壳; 鸦片; 罂粟; 白药子; 白花罂粟; 白药子; 罂粟; 罂粟壳; 印度萝芙木; 鸦片; 番木瓜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YING SU KE; YA PIAN; YING SU; BAI YAO ZI; BAI HUA YING SU; BAI YAO ZI; YING SU; YING SU KE; YA PIAN; FAN MU GUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Opium Poppy Pericarp ; Opium ; Opium Poppy ; Oriental Stephania; White Poppy*; Oriental Stephania;Opium Poppy ; Opium Poppy Pericarp; Java Devilpepper; Opium ; Papaya Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Papaverine,ban1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-isoquinoline1-(3,7-dimethoxyisoquinoline hydrochloride1-[(3,4-Dimethoxyphenyl)methyl]6,7-dimethoxyisoquinoline1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride1-{[3,4-bis(methyloxy)phenyl]methyl}-6,7-bis(methyloxy)isoquinoline23473EC6BQ4-[(6,7-Dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene4-[(6,7-dimethoxyisoquinolyl)methyl]-1,2-dimethoxybenzene, chloride5-21-06-00182 (Beilstein Handbook Reference)58-74-258-74-2 (FREE BASE )58-74-2 (Parent)6,3',4'-Tetramethoxy-1-benzylisoquinoline hydrochloride6,7,3',4'-Tetramethoxy-1-benzylisoquinoline hydrochloride6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)-isoquinoline hydrochloride6,7-Dimethoxy-1-(3,4-dimethoxybenzyl)isoquinoline6,7-Dimethoxy-1-veratrylisoquinoline6,7-Dimethoxy-1-veratrylisoquinoline hydrochloride61-25-661-25-6 (HCL)AC1L1LROAC1Q3DLIACon1_000238ACon1_002094AIDS000185AK-67336AKOS005111070AOB5339API0003748ARONIS23834AS-13262AlapavArtegodanBAS 00674058BBC/116BB_NC-0726BG00717685BG01663857BPBio1_000470BRN 0312930BSPBio_000426BSPBio_002153C06533C20H22ClNO4CAS-61-25-6CCG-40065CCRIS 3804CHEMBL98123CS-5015CTK8G2272CardiospanCardoverinaCepaverinCeraspanCerebidCerespanCertified Reference MaterialChlorhydrate de papaverine [French]CopavinD02218DSSTox_CID_5825DSSTox_GSID_25825DSSTox_RID_77939DTXSID9025825DelapavDilavesDipavDispamilDivK1c_000321DrapavelDurapavDynovasEINECS 200-397-2EINECS 200-502-1EU-0100957FT-0631269ForpavinH754HMS1569F08HMS1920F06HY-18077AI01-13837IDI1_000321InChI=1/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4HIsoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-, hydrochlorideIsoquinoline, 1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-, hydrochloride (1:1)Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-Isoquinoline, 6,7-dimethoxy-1-veratryl-Isoquinoline, 6,7-dimethoxy-1-veratryl- (8CI)Isoquinoline, 6,7-dimethoxy-1-veratryl-(8Cl)Isoquinoline, 6,7-dimethoxy-1-veratryl-, hydrochlorideIsoquinoline, 6,7-dimethoxy-1-veratryl-, hydrochloride (8CI)Isoquinoline,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, hydrochlorideIsoquinoline,7-dimethoxy-1-veratryl-, hydrochlorideKB-146860KBio1_000321KBio2_000471KBio2_003039KBio2_005607KBio3_001653KBioGR_000914KBioSS_000471LP00957LS-267LapavLopac-P-3510Lopac0_000957MEGxp0_001880MFCD00012745MLS000028497MLS001148655MLS002222208MolPort-000-847-203MyobidNCGC00015810-01NCGC00015810-02NCGC00015810-03NCGC00015810-12NCGC00094258-01NCGC00094258-02NCGC00094258-03NCGC00094258-04NCGC00094258-05NCGC00094258-06NCGC00261642-01NCI-C56359NCI60_003183NINDS_000321NSC-35443NSC136630NSC35443 (HCL)NSC757256Opera_ID_1617Oprea1_387689Oprea1_810508OptenylP 3510P0016PAP HPameionPap-Kaps-150PapaconPapaleasePapanerinPapanerin-HCl [German]Papanerin-hclPapanerinePapavarine chlorhydratePapavarine hydrochloridePapaverinPapaverinaPapaverina [Italian]Papaverine HclPapaverine chlorohydratePapaverine hydrochloridPapaverine hydrochloride (JP17/USP)Papaverine hydrochloride [USAN:JAN]Papaverine hydrochloride [USP:JAN]Papaverine hydrochloride, European Pharmacopoeia (EP) Reference StandardPapaverine hydrochloride, Pharmaceutical Secondary StandardPapaverine hydrochloride, United States Pharmacopeia (USP) Reference StandardPapaverine hydrochloride, powderPapaverine monohydrochloridePapaverine, hydrochloridePapaverinium chloridePapaversanPavabidPavabid (TN)PavacapPavacenPavacotPavadelPavagrantPavakeyPavasedPavatestPaverolanPaveronPavnellPharmakon1600-01500459Prestwick0_000583Prestwick1_000583Prestwick2_000583Prestwick3_000583Prestwick_376PubChem6305REGID_for_CID_6084RS 47Ro-PapavRobaxapapS-M-RSBB080541SCHEMBL121268SDCCGMLS-0003037.P003SMR000058283SPBio_001015SPBio_002645SPECTRUM1500459SR-01000003098SR-01000003098-11SR-01000003098-2SR-01000003098-4SR-01000003098-9ST023301ST077145Spasmo-NitSpectrum2_000978Spectrum3_000537Spectrum4_000467Spectrum5_001188Spectrum_000071TNP00305TR-031684TherapavTox21_110226Tox21_110226_1Tox21_500957UNII-23473EC6BQUOTMYNBWXDUBNX-UHFFFAOYSA-NVasalVaso-PavWLN: T66 CNJ B1R CO1 DO1& HO1 IO1WLN: T66 CNJ B1R CO1 DO1& HO1 IO1 &GHZINC00056555component of Copavinhydrochloride罂粟壳; 鸦片; 罂粟; 白药子; 白花罂粟; 白药子; 罂粟; 罂粟壳; 印度萝芙木; 鸦片; 番木瓜YING SU KE; YA PIAN; YING SU; BAI YAO ZI; BAI HUA YING SU; BAI YAO ZI; YING SU; YING SU KE; YA PIAN; FAN MU GUAOpium Poppy Pericarp ; Opium ; Opium Poppy ; Oriental Stephania; White Poppy*; Oriental Stephania;Opium Poppy ; Opium Poppy Pericarp; Java Devilpepper; Opium ; Papaya Fruit
Cross References
Trusted external identifiers retained for this final record.
Cas
58-74-2
Hit
C0290
Herb
HBIN038790HBIN038791
Npass
NPC195268
Tcmid
16611
Tcmsp
MOL006980
Sym Map
SMIT00257
Tcm Id
141081410914110141111411214113192011920219203192041920519206203124937
Pub Chem
4680
Tcmbank
TCMBANKIN014682TCMBANKIN020949TCMBANKIN056878
Etcm Ingredient
Papaverine
Itcmdb Generated
ITX-INGREDIENT-BDA2F6890CB2ITX-INGREDIENT-4161C777D38F
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.41366
Jx
1.97002
Jy
2.06221
Bic
0.66287
Cic
1.23019
Phi
5.40434
Sic
0.73509
Log D
3.524
Sc 0
25
Sc 1
27
Sc 2
37
Type
Other ingredients
Alog P
3.503
Chi 0
17.8112
Chi 1
12.1937
Chi 2
10.1744
In Ch I
InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
Mol Wt
339.3910000000001
Pmi X
145.834
Cas Id
58-74-2
Energy
43.39
Sc 3 C
8
Sc 3 P
51
Smiles
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
Zagreb
128
Chi 3 C
1.3402
Chi 3 P
9.18995
Chi V 0
14.8288
Chi V 1
7.90314
Chi V 2
5.55208
Kappa 1
19.7531
Kappa 2
9.27392
Kappa 3
4.46597
Mol Log P
3.860000000000003
Sc 3 Ch
0
Version
v1,v2
Alog P Mr
95.517
Chi 3 Ch
0
Dipole X
-0.57713
Dipole Y
-1.45228
Dipole Z
-0.00004
Iac Mean
1.46536
In Ch Ikey
XQYZDYMELSJDRZ-UHFFFAOYSA-N
Is Chiral
0
Ob Score
64.04275464.0427540964.043
Suppress
0
Tcm Name
罂粟壳; 鸦片; 罂粟; 白药子; 白花罂粟; 白药子; 罂粟; 罂粟壳; 印度萝芙木; 鸦片; 番木瓜
Admet Bbb
0.185
Chi V 3 C
0.58811
Chi V 3 P
4.17059
Es Sum D O
0
Es Sum T N
0
E Adj Equ
345.371
E Adj Mag
459.5
Hba Count
5
Hbd Count
0
Iac Total
67.4066
Jurs Rasa
0.86598
Jurs Rncg
0.18391
Jurs Rncs
3.31061
Jurs Rpcg
0.1523
Jurs Rpcs
1.06678
Jurs Rpsa
0.13401
Jurs Sasa
536.331
Jurs Tasa
464.455
Jurs Tpsa
71.8764
Num Atoms
25
Num Bonds
27
Num Rings
3
Shadow Xy
99.3949
Shadow Xz
48.6195
Shadow Yz
25.8515
Shadow Nu
5.02175
Tcm Name2
YING SU KE; YA PIAN; YING SU; BAI YAO ZI; BAI HUA YING SU; BAI YAO ZI; YING SU; YING SU KE; YA PIAN; FAN MU GUA
V Adj Equ
265.211
V Adj Mag
310.764
Mol2 Path
/TCM_database/2003_3d_all/6626.mol2
Reference
4,5,6,658
Chi V 3 Ch
0
Dipole Mag
1.56275
Es Sum Aa N
4.562
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
0
Es Sum Ss O
21.492
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
17.511
Kappa 2 Am
7.71564
Kappa 3 Am
3.54708
Num Hdonors
0
Num Chains
5
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
3
Num Rings7
0
Num Rings8
0
Es Count D O
0
Es Count T N
0
Es Sum Aa Ch
13.607
Es Sum Aa Nh
0
Es Sum Aaa C
2.095
Es Sum Aas C
4.871
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
6.529
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
118.205
Jurs Dpsa 3
43.7255
Jurs Fnsa 1
0.3898
Jurs Fnsa 2
-0.73453
Jurs Fnsa 3
-0.0544
Jurs Fpsa 1
0.61019
Jurs Fpsa 2
0.42258
Jurs Fpsa 3
0.02713
Jurs Pnsa 1
209.063
Jurs Pnsa 2
-393.948
Jurs Pnsa 3
-29.1735
Jurs Ppsa 1
327.268
Jurs Ppsa 3
14.552
Jurs Wnsa 1
112.127
Jurs Wnsa 2
-211.287
Jurs Wnsa 3
-15.6467
Jurs Wpsa 1
175.524
Jurs Wpsa 3
7.80469
Num Pi Bonds
0
Tcm Name En
Opium Poppy Pericarp ; Opium ; Opium Poppy ; Oriental Stephania; White Poppy*; Oriental Stephania;Opium Poppy ; Opium Poppy Pericarp; Java Devilpepper; Opium ; Papaya Fruit
Admet Psa 2 D
46.981
Es Count Aa N
1
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
0
Es Count Ss O
4
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
0.673
Es Sum Ss Nh2
0
Es Sum Sss Ch
0
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
5
Num H Donors
0
Admet Alog P98
3.503
Admet Ext Ppb
-12.2342
Drug Likeness
0.682
Es Count Aa Ch
7
Es Count Aa Nh
0
Es Count Aaa C
2
Es Count Aas C
6
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
4
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
5
Num Fragments
1
Num Hydrogens
21
Num Ring Bonds
17
Organic Count
25
Rad Of Gyration
3.28526
Shadow Xyfrac
0.61676
Shadow Xzfrac
0.8372
Shadow Yzfrac
0.80555
Strain Energy
41.12
Es Count Ss Ch2
1
Es Count Ss Nh2
0
Es Count Sss Ch
0
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
339.147
Molecular Sasa
567.753
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
17.0772
Shadow Ylength
9.43691
Shadow Zlength
3.40063
Admet Bbb Level
1
Isomeric Smiles
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
Molecular Savol
498.453
Molecule Weight
339.42
Num Atom Classes
25
Num Bridge Bonds
0
Num H Acceptors
5
Num Repeat Units
0
Admet Ext Cyp2 D6
-1.52906
Admet Solubility
-4.778
Canonical Smiles
COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
Herb Alias Names
Papaverin58-74-2PapanerineRobaxapapPapanerinPapaverinaCerespanPavabid1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline
Minimized Energy
2.27
Molecular Weight
339.150
Molecular Volume
275.42
Molecular Weight
339.39
Molecule Formula
C20H21NO4
Num Macro Chains
0
Molecular Formula
C20H21NO4
Molecular Formula
C20H21NO4
Molecular Formula
C20H21NO4
Num Rotatable Bonds
6
Num Aromatic Bonds
17
Num Aromatic Rings
3
Num Explicit Atoms
25
Num Explicit Bonds
27
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
2
Num Rotatable Bonds
6
Molecular Polar Sasa
54.9998
Num Bridge Head Atoms
0
Num Chain Assemblies
5
Num Meso Stereo Atoms
0
Molecular Solubility
-5.752
Admet Ext Hepatotoxic
12.5792
Admet Unknown Alog P98
0
Molecular Surface Area
367.77
Num Explicit Hydrogens
0
Num H Donors Lipinski
0
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
2
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
5
Molecular Polar Surface Area
49.81
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.096
Admet Ext Ppb Applicability#Md
9.68995
Fda Maximum Daily Dose (Fdamdd)
0.174
Admet Ext Hepatotoxic#Prediction
1
Admet Ext Cyp2 D6 Applicability#Md
19.0455
Admet Ext Ppb Applicability#Mdpvalue
0.958915
Molecular Fractional Polar Surface Area
0.135
Admet Ext Hepatotoxic Applicability#Md
10.5895
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.021041
Quantitative Estimate Of Drug Likeness（Qed）
0.682