Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Experiment: 12Herb: 12Ingredient: 1Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15618
- Core Entity Id
- 20527
- Source Entity Count
- 1
- Preferred Name
- Tnp00001
- Name En
- Pubchem Id
- 6604598
- Smiles Canonical
- COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
- Molecular Formula
- C21H20O6
- Molecular Weight
- 368.3850
- Inchikey
- VFLDPWHFBUODDF-FCXRPNKRSA-N
- Inchi
- InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
- Isomeric Smiles
- COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
- Cas Id
- 485-37-7
- Ob Score
- 4.3710
- Mol Logp
- 3.3699
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.5480
- Polar Surface Area
- 93.0600
- Molecular Volume
- 285.3700
- Alogp
- 3.5540
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tnp00001
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Β-Curcumin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Curcumin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Curcumin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Curcumin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
TNP00001
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tnp00001
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tnp00001
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tnp00001
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
curcumin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
β-Curcumin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
莪朮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
黄根姜黄; 广西莪术; 平莪术; 郁金; 姜黄; 白菖; 姜黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG GEN JIANG HUANG; GUANG XI E SHU; PING E SHU; YU JIN; JIANG HUANG; BAI CHANG; JIANG HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
温郁金Curcuma wenyujin
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Curcuma
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Xanthorrhiza Turmeric*; Kwangsi Turmeric; Zedoary Turmeric; Aromatic Turmeric; Common Turmeric; Drug Sweetflag; Common Turmeric
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
Role
alias
Source
TCMBank
Preferred
No
Name
(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Role
alias
Source
TCMBank
Preferred
No
Name
(1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione
Role
alias
Source
TCMBank
Preferred
No
Name
(1E,6E)-1,7-bis[4-hydroxy-3-(methyloxy)phenyl]hepta-1,6-diene-3,5-dione
Role
alias
Source
TCMBank
Preferred
No
Name
(1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione
Role
alias
Source
TCMBank
Preferred
No
Name
(1Z,6Z)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Role
alias
Source
TCMBank
Preferred
No
Name
(E,E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
Role
alias
Source
TCMBank
Preferred
No
Name
1,3-Di(3-methoxy-4-hydroxystyryl)propanedial
Role
alias
Source
TCMBank
Preferred
No
Name
1,5-Di(vanillyliden)acetylaceton
Role
alias
Source
TCMBank
Preferred
No
Name
1,5-Divanillyliden-2,4-pentandion
Role
alias
Source
TCMBank
Preferred
No
Name
1,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-
Role
alias
Source
TCMBank
Preferred
No
Name
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)-
Role
alias
Source
TCMBank
Preferred
No
Name
1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
Role
alias
Source
TCMBank
Preferred
No
Name
1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, (E,E)-
Role
alias
Source
TCMBank
Preferred
No
Name
1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Role
alias
Source
TCMBank
Preferred
No
Name
1,7-DI(4-HYDROXY-3-METHOXYPHENYL)HEPTA-1,6-DIENE-3
Role
alias
Source
TCMBank
Preferred
No
Name
1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione
Role
alias
Source
TCMBank
Preferred
No
Name
1,9-Bis(4-hydroxy-3-methoxyphenyl)-2,7-nonadiene-4,6-dione
Role
alias
Source
TCMBank
Preferred
No
Name
15845-47-3
Role
alias
Source
TCMBank
Preferred
No
Name
1790-EP2305629A1
Role
alias
Source
TCMBank
Preferred
No
Name
1790-EP2308861A1
Role
alias
Source
TCMBank
Preferred
No
Name
2,7-Nonadiene-4,6-dione, 1,9-bis(4-hydroxy-3-methoxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
33171-04-9
Role
alias
Source
TCMBank
Preferred
No
Name
4-08-00-03697 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
458-37-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
458-37-7
Role
alias
Source
HERB_v2
Preferred
No
Name
458-37-7
Role
alias
Source
TCMBank
Preferred
No
Name
458C377
Role
alias
Source
TCMBank
Preferred
No
Name
5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one
Role
alias
Source
TCMBank
Preferred
No
Name
73729-23-4
Role
alias
Source
TCMBank
Preferred
No
Name
79257-48-0
Role
alias
Source
TCMBank
Preferred
No
Name
8024-37-1
Role
alias
Source
TCMBank
Preferred
No
Name
91884-86-5
Role
alias
Source
TCMBank
Preferred
No
Name
98% curcurmin)
Role
alias
Source
TCMBank
Preferred
No
Name
AC-24238
Role
alias
Source
TCMBank
Preferred
No
Name
AC1LJ6T6
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q46A0
Role
alias
Source
TCMBank
Preferred
No
Name
AK316302
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS001305497
Role
alias
Source
TCMBank
Preferred
No
Name
AN-23454
Role
alias
Source
TCMBank
Preferred
No
Name
BBL027711
Role
alias
Source
TCMBank
Preferred
No
Name
BB_NC-01422
Role
alias
Source
TCMBank
Preferred
No
Name
BC678109
Role
alias
Source
TCMBank
Preferred
No
Name
BCP0726000035
Role
alias
Source
TCMBank
Preferred
No
Name
BCP9000557
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM29532
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50067040
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50140172
Role
alias
Source
TCMBank
Preferred
No
Name
BG00706978
Role
alias
Source
TCMBank
Preferred
No
Name
BG01656528
Role
alias
Source
TCMBank
Preferred
No
Name
BG0601
Role
alias
Source
TCMBank
Preferred
No
Name
BIC8500
Role
alias
Source
TCMBank
Preferred
No
Name
BIDD:ER0479
Role
alias
Source
TCMBank
Preferred
No
Name
BRD-K07572174-001-02-2
Role
alias
Source
TCMBank
Preferred
No
Name
BRD-K07572174-001-19-6
Role
alias
Source
TCMBank
Preferred
No
Name
BRD-K07572174-001-22-0
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 2306965
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_003590
Role
alias
Source
TCMBank
Preferred
No
Name
Bio-0677
Role
alias
Source
TCMBank
Preferred
No
Name
C.I. Natural Yellow 3
Role
alias
Source
TCMBank
Preferred
No
Name
C10443
Role
alias
Source
TCMBank
Preferred
No
Name
C21H20O6
Role
alias
Source
TCMBank
Preferred
No
Name
CAS-458-37-7
Role
alias
Source
TCMBank
Preferred
No
Name
CC0179
Role
alias
Source
TCMBank
Preferred
No
Name
CCG-36020
Role
alias
Source
TCMBank
Preferred
No
Name
CCG-36107
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 3257
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 5804
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:3962
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1318698
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1318698
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL140
Role
alias
Source
TCMBank
Preferred
No
Name
CI 75300
Role
alias
Source
TCMBank
Preferred
No
Name
CS-1490
Role
alias
Source
TCMBank
Preferred
No
Name
CU-01000001305-2
Role
alias
Source
TCMBank
Preferred
No
Name
CURCUMIN (SEE ALSO TUMERIC, OLEORESIN (10105-J))
Role
alias
Source
TCMBank
Preferred
No
Name
Cucurmin
Role
alias
Source
TCMBank
Preferred
No
Name
Curcuma
Role
alias
Source
TCMBank
Preferred
No
Name
Curcuma
Role
alias
Source
HERB_v2
Preferred
No
Name
Curcuma
Role
alias
Source
itcmdb_public
Preferred
No
Name
Curcuma longa l. oil
Role
alias
Source
TCMBank
Preferred
No
Name
Curcuma longa l. oleoresin
Role
alias
Source
TCMBank
Preferred
No
Name
Curcuma longa l. root oil
Role
alias
Source
TCMBank
Preferred
No
Name
Curcuma longa l. root oleoresin
Role
alias
Source
TCMBank
Preferred
No
Name
Curcuma longa oils
Role
alias
Source
TCMBank
Preferred
No
Name
Curcuma oil
Role
alias
Source
TCMBank
Preferred
No
Name
Curcuma oil (Curcuma longa)
Role
alias
Source
TCMBank
Preferred
No
Name
Curcumin
Role
alias
Source
TCMBank
Preferred
No
Name
Curcumin (Natural)
Role
alias
Source
TCMBank
Preferred
No
Name
Curcumin (synthetic)
Role
alias
Source
TCMBank
Preferred
No
Name
Curcumin I
Role
alias
Source
HERB_v2
Preferred
No
Name
Curcumin I
Role
alias
Source
itcmdb_public
Preferred
No
Name
Curcumin I
Role
alias
Source
TCMBank
Preferred
No
Name
Curcumin solution, ~0.1 % (w/v) (in ethanol with 2M HCl (99:1 v/v)), for TLC derivatization
Role
alias
Source
TCMBank
Preferred
No
Name
Curcumin, 95% (total curcuminoid content), from Turmeric rhizome
Role
alias
Source
TCMBank
Preferred
No
Name
Curcumin, >=94% (curcuminoid content), >=80% (Curcumin)
Role
alias
Source
TCMBank
Preferred
No
Name
Curcumin, United States Pharmacopeia (USP) Reference Standard
Role
alias
Source
TCMBank
Preferred
No
Name
Curcumin, analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
Curcumin, from Curcuma longa (Turmeric), powder
Role
alias
Source
TCMBank
Preferred
No
Name
Curcumin, matrix substance for MALDI-MS, >=99.5% (HPLC)
Role
alias
Source
TCMBank
Preferred
No
Name
Curcumin, primary pharmaceutical reference standard
Role
alias
Source
TCMBank
Preferred
No
Name
Curcumine
Role
alias
Source
TCMBank
Preferred
No
Name
Curcurmin
Role
alias
Source
TCMBank
Preferred
No
Name
D07SDQ
Role
alias
Source
TCMBank
Preferred
No
Name
D0H8LC
Role
alias
Source
TCMBank
Preferred
No
Name
DB-002681
Role
alias
Source
TCMBank
Preferred
No
Name
DB11672
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_CID_1421
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_GSID_31077
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_RID_78861
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID8031077
Role
alias
Source
TCMBank
Preferred
No
Name
Diferaloylmethane
Role
alias
Source
TCMBank
Preferred
No
Name
Diferuloylmethane
Role
alias
Source
HERB_v2
Preferred
No
Name
Diferuloylmethane
Role
alias
Source
itcmdb_public
Preferred
No
Name
Diferulylmethane
Role
alias
Source
TCMBank
Preferred
No
Name
DivK1c_006683
Role
alias
Source
TCMBank
Preferred
No
Name
E 100
Role
alias
Source
TCMBank
Preferred
No
Name
E 100 (Dye)
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 207-280-5
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 3085
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 3086
Role
alias
Source
TCMBank
Preferred
No
Name
GP8291
Role
alias
Source
TCMBank
Preferred
No
Name
GTPL7000
Role
alias
Source
TCMBank
Preferred
No
Name
Gelbwurz
Role
alias
Source
HERB_v2
Preferred
No
Name
Gelbwurz
Role
alias
Source
TCMBank
Preferred
No
Name
Gelbwurz
Role
alias
Source
itcmdb_public
Preferred
No
Name
Golden seal
Role
alias
Source
TCMBank
Preferred
No
Name
HMS2233K04
Role
alias
Source
TCMBank
Preferred
No
Name
HMS3649K06
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 4334
Role
alias
Source
TCMBank
Preferred
No
Name
HY-N0005
Role
alias
Source
TCMBank
Preferred
No
Name
Haidr
Role
alias
Source
TCMBank
Preferred
No
Name
Halad
Role
alias
Source
TCMBank
Preferred
No
Name
Haldar
Role
alias
Source
itcmdb_public
Preferred
No
Name
Haldar
Role
alias
Source
HERB_v2
Preferred
No
Name
Haldar
Role
alias
Source
TCMBank
Preferred
No
Name
Haldar, Souchet
Role
alias
Source
TCMBank
Preferred
No
Name
Halud
Role
alias
Source
TCMBank
Preferred
No
Name
Hydrastis
Role
alias
Source
TCMBank
Preferred
No
Name
I06-0010
Role
alias
Source
TCMBank
Preferred
No
Name
I06-2497
Role
alias
Source
TCMBank
Preferred
No
Name
I14-19358
Role
alias
Source
TCMBank
Preferred
No
Name
IT942ZTH98
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13
Role
alias
Source
TCMBank
Preferred
No
Name
Indian saffron
Role
alias
Source
HERB_v2
Preferred
No
Name
Indian saffron
Role
alias
Source
itcmdb_public
Preferred
No
Name
Indian saffron
Role
alias
Source
TCMBank
Preferred
No
Name
Indian turmeric
Role
alias
Source
TCMBank
Preferred
No
Name
J10108
Role
alias
Source
TCMBank
Preferred
No
Name
KB-251224
Role
alias
Source
TCMBank
Preferred
No
Name
KBio1_001627
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_003004
Role
alias
Source
TCMBank
Preferred
No
Name
Kacha haldi
Role
alias
Source
HERB_v2
Preferred
No
Name
Kacha haldi
Role
alias
Source
TCMBank
Preferred
No
Name
Kacha haldi
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kurkumin
Role
alias
Source
TCMBank
Preferred
No
Name
Kurkumin [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
LS-125
Role
alias
Source
TCMBank
Preferred
No
Name
LS-2189
Role
alias
Source
TCMBank
Preferred
No
Name
M212
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00008365
Role
alias
Source
TCMBank
Preferred
No
Name
MLS000069631
Role
alias
Source
TCMBank
Preferred
No
Name
MLS001148449
Role
alias
Source
TCMBank
Preferred
No
Name
Merita earth
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-001-763-682
Role
alias
Source
TCMBank
Preferred
No
Name
N1839
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017159-01
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00017159-01
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00017159-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017159-02
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00017159-02
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00017159-03
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00017159-03
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00017159-04
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017159-05
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017159-06
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017159-07
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017159-09
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017159-10
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017159-11
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00017159-12
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00023332-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00023332-04
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00023332-05
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00095321-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00258668-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI-C61325
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-687842
Role
alias
Source
TCMBank
Preferred
No
Name
NSC32982
Role
alias
Source
TCMBank
Preferred
No
Name
Natural yellow 3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Natural yellow 3
Role
alias
Source
HERB_v2
Preferred
No
Name
Natural yellow 3
Role
alias
Source
TCMBank
Preferred
No
Name
OR24598
Role
alias
Source
TCMBank
Preferred
No
Name
Oil of turmeric
Role
alias
Source
TCMBank
Preferred
No
Name
Oils, curcuma
Role
alias
Source
TCMBank
Preferred
No
Name
Oils, galangal
Role
alias
Source
TCMBank
Preferred
No
Name
Opera_ID_1627
Role
alias
Source
TCMBank
Preferred
No
Name
Orange Root
Role
alias
Source
TCMBank
Preferred
No
Name
PREVENTION 4 (CURCUMIN) (SEE ALSO TUMERIC, OLEORESIN (10105-J))
Role
alias
Source
TCMBank
Preferred
No
Name
RTR-032605
Role
alias
Source
TCMBank
Preferred
No
Name
SBB006495
Role
alias
Source
TCMBank
Preferred
No
Name
SC-17381
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL13521974
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2622435
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2804734
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2804734
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL8440
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL8441
Role
alias
Source
TCMBank
Preferred
No
Name
SDCCGMLS-0066836.P001
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000058237
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_001728
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000000149
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000000149-2
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000000149-5, curcumine
Role
alias
Source
TCMBank
Preferred
No
Name
ST055629
Role
alias
Source
TCMBank
Preferred
No
Name
STL371943
Role
alias
Source
TCMBank
Preferred
No
Name
Safran d'Inde
Role
alias
Source
TCMBank
Preferred
No
Name
Souchet
Role
alias
Source
TCMBank
Preferred
No
Name
SpecPlus_000587
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum2_001714
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_001990
Role
alias
Source
TCMBank
Preferred
No
Name
TR-032605
Role
alias
Source
TCMBank
Preferred
No
Name
TURMERIC, OLEORESIN (CURCUMIN) (SEE ALSO CURCURMIN (458-37-7))
Role
alias
Source
TCMBank
Preferred
No
Name
Terra Merita
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_110803
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_111505
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_201116
Role
alias
Source
TCMBank
Preferred
No
Name
Tumeric oleoresin
Role
alias
Source
TCMBank
Preferred
No
Name
Tumeric yellow
Role
alias
Source
TCMBank
Preferred
No
Name
Turmeric
Role
alias
Source
TCMBank
Preferred
No
Name
Turmeric (>98% curcurmin)
Role
alias
Source
TCMBank
Preferred
No
Name
Turmeric extract
Role
alias
Source
TCMBank
Preferred
No
Name
Turmeric extract (Curcuma longa L.)
Role
alias
Source
TCMBank
Preferred
No
Name
Turmeric oil
Role
alias
Source
TCMBank
Preferred
No
Name
Turmeric oil (Curcuma longa L.)
Role
alias
Source
TCMBank
Preferred
No
Name
Turmeric oleoresin (79%-85% curcumin)
Role
alias
Source
TCMBank
Preferred
No
Name
Turmeric root oil
Role
alias
Source
TCMBank
Preferred
No
Name
Turmeric root oleoresin
Role
alias
Source
TCMBank
Preferred
No
Name
Turmeric yellow
Role
alias
Source
TCMBank
Preferred
No
Name
Turmeric, oleoresin
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-IT942ZTH98
Role
alias
Source
TCMBank
Preferred
No
Name
VFLDPWHFBUODDF-FCXRPNKRSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
W-5038
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: 1OR BQ E1U1V1V1U1R DQ CO1
Role
alias
Source
TCMBank
Preferred
No
Name
Yellow Ginger
Role
alias
Source
TCMBank
Preferred
No
Name
Yellow Root
Role
alias
Source
TCMBank
Preferred
No
Name
Yellow puccoon
Role
alias
Source
TCMBank
Preferred
No
Name
Yellow, Turmeric
Role
alias
Source
TCMBank
Preferred
No
Name
Yo-Kin
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00899824
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC899824
Role
alias
Source
TCMBank
Preferred
No
Name
ZX-AT003872
Role
alias
Source
TCMBank
Preferred
No
Name
Zlut prirodni 3
Role
alias
Source
TCMBank
Preferred
No
Name
Zlut prirodni 3 [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
cMAP_000052
Role
alias
Source
TCMBank
Preferred
No
Name
cid_5281767
Role
alias
Source
TCMBank
Preferred
No
Name
cid_969516
Role
alias
Source
TCMBank
Preferred
No
Name
curcuma longa l. root oil CO2 extract
Role
alias
Source
TCMBank
Preferred
No
Name
curcuma longa l. root oil hydrodistilled
Role
alias
Source
TCMBank
Preferred
No
Name
curouma
Role
alias
Source
TCMBank
Preferred
No
Name
diferuloylmethan
Role
alias
Source
TCMBank
Preferred
No
Name
diferuloylmethane
Role
alias
Source
TCMBank
Preferred
No
Name
kachs haldi
Role
alias
Source
TCMBank
Preferred
No
Name
safra d'inde
Role
alias
Source
TCMBank
Preferred
No
Name
trans,trans-Curcumin
Role
alias
Source
TCMBank
Preferred
No
Name
turmeric root oil CO2 extract
Role
alias
Source
TCMBank
Preferred
No
Name
turmeric root oil hydrodistilled
Role
alias
Source
TCMBank
Preferred
No
Name
8.活血化瘀药(33-33)
Role
level1_name
Source
TCMBank
Preferred
No
Name
blood-activating and stasis-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
4.破血消症药(6-6)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-breaking mass-eliminating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Β-CurcuminCurcumin莪朮黄根姜黄; 广西莪术; 平莪术; 郁金; 姜黄; 白菖; 姜黄HUANG GEN JIANG HUANG; GUANG XI E SHU; PING E SHU; YU JIN; JIANG HUANG; BAI CHANG; JIANG HUANG温郁金Curcuma wenyujinCurcumaXanthorrhiza Turmeric*; Kwangsi Turmeric; Zedoary Turmeric; Aromatic Turmeric; Common Turmeric; Drug Sweetflag; Common Turmeric(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione(1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione(1E,6E)-1,7-bis[4-hydroxy-3-(methyloxy)phenyl]hepta-1,6-diene-3,5-dione(1Z,6E)-1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-hepta-1,6-diene-3,5-dione(1Z,6Z)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione(E,E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione1,3-Di(3-methoxy-4-hydroxystyryl)propanedial1,5-Di(vanillyliden)acetylaceton1,5-Divanillyliden-2,4-pentandion1,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione, (E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione1,7-DI(4-HYDROXY-3-METHOXYPHENYL)HEPTA-1,6-DIENE-31,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione1,9-Bis(4-hydroxy-3-methoxyphenyl)-2,7-nonadiene-4,6-dione15845-47-31790-EP2305629A11790-EP2308861A12,7-Nonadiene-4,6-dione, 1,9-bis(4-hydroxy-3-methoxyphenyl)-33171-04-94-08-00-03697 (Beilstein Handbook Reference)458-37-7458C3775-hydroxy-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,4,6-trien-3-one5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,4,6-heptatrien-3-one73729-23-479257-48-08024-37-191884-86-598% curcurmin)AC-24238AC1LJ6T6AC1Q46A0AK316302AKOS001305497AN-23454BBL027711BB_NC-01422BC678109BCP0726000035BCP9000557BDBM29532BDBM50067040BDBM50140172BG00706978BG01656528BG0601BIC8500BIDD:ER0479BRD-K07572174-001-02-2BRD-K07572174-001-19-6BRD-K07572174-001-22-0BRN 2306965BSPBio_003590Bio-0677C.I. Natural Yellow 3C10443C21H20O6CAS-458-37-7CC0179CCG-36020CCG-36107CCRIS 3257CCRIS 5804CHEBI:3962CHEMBL1318698CHEMBL140CI 75300CS-1490CU-01000001305-2CURCUMIN (SEE ALSO TUMERIC, OLEORESIN (10105-J))CucurminCurcuma longa l. oilCurcuma longa l. oleoresinCurcuma longa l. root oilCurcuma longa l. root oleoresinCurcuma longa oilsCurcuma oilCurcuma oil (Curcuma longa)Curcumin (Natural)Curcumin (synthetic)Curcumin ICurcumin solution, ~0.1 % (w/v) (in ethanol with 2M HCl (99:1 v/v)), for TLC derivatizationCurcumin, 95% (total curcuminoid content), from Turmeric rhizomeCurcumin, >=94% (curcuminoid content), >=80% (Curcumin)Curcumin, United States Pharmacopeia (USP) Reference StandardCurcumin, analytical standardCurcumin, from Curcuma longa (Turmeric), powderCurcumin, matrix substance for MALDI-MS, >=99.5% (HPLC)Curcumin, primary pharmaceutical reference standardCurcumineCurcurminD07SDQD0H8LCDB-002681DB11672DSSTox_CID_1421DSSTox_GSID_31077DSSTox_RID_78861DTXSID8031077DiferaloylmethaneDiferuloylmethaneDiferulylmethaneDivK1c_006683E 100E 100 (Dye)EINECS 207-280-5FEMA No. 3085FEMA No. 3086GP8291GTPL7000GelbwurzGolden sealHMS2233K04HMS3649K06HSDB 4334HY-N0005HaidrHaladHaldarHaldar, SouchetHaludHydrastisI06-0010I06-2497I14-19358IT942ZTH98InChI=1/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13Indian saffronIndian turmericJ10108KB-251224KBio1_001627KBio3_003004Kacha haldiKurkuminKurkumin [Czech]LS-125LS-2189M212MFCD00008365MLS000069631MLS001148449Merita earthMolPort-001-763-682N1839NCGC00017159-01NCGC00017159-02NCGC00017159-03NCGC00017159-04NCGC00017159-05NCGC00017159-06NCGC00017159-07NCGC00017159-09NCGC00017159-10NCGC00017159-11NCGC00017159-12NCGC00023332-03NCGC00023332-04NCGC00023332-05NCGC00095321-01NCGC00258668-01NCI-C61325NSC-687842NSC32982Natural yellow 3OR24598Oil of turmericOils, curcumaOils, galangalOpera_ID_1627Orange RootPREVENTION 4 (CURCUMIN) (SEE ALSO TUMERIC, OLEORESIN (10105-J))RTR-032605SBB006495SC-17381SCHEMBL13521974SCHEMBL2622435SCHEMBL2804734SCHEMBL8440SCHEMBL8441SDCCGMLS-0066836.P001SMR000058237SPBio_001728SR-01000000149SR-01000000149-2SR-01000000149-5, curcumineST055629STL371943Safran d'IndeSouchetSpecPlus_000587Spectrum2_001714Spectrum3_001990TR-032605TURMERIC, OLEORESIN (CURCUMIN) (SEE ALSO CURCURMIN (458-37-7))Terra MeritaTox21_110803Tox21_111505Tox21_201116Tumeric oleoresinTumeric yellowTurmericTurmeric (>98% curcurmin)Turmeric extractTurmeric extract (Curcuma longa L.)Turmeric oilTurmeric oil (Curcuma longa L.)Turmeric oleoresin (79%-85% curcumin)Turmeric root oilTurmeric root oleoresinTurmeric yellowTurmeric, oleoresinUNII-IT942ZTH98VFLDPWHFBUODDF-FCXRPNKRSA-NW-5038WLN: 1OR BQ E1U1V1V1U1R DQ CO1Yellow GingerYellow RootYellow puccoonYellow, TurmericYo-KinZINC00899824ZINC899824ZX-AT003872Zlut prirodni 3Zlut prirodni 3 [Czech]cMAP_000052cid_5281767cid_969516curcuma longa l. root oil CO2 extractcurcuma longa l. root oil hydrodistilledcuroumadiferuloylmethankachs haldisafra d'indetrans,trans-Curcuminturmeric root oil CO2 extractturmeric root oil hydrodistilled8.活血化瘀药(33-33)blood-activating and stasis-resolving medicinal4.破血消症药(6-6)blood-breaking mass-eliminating medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
458-37-7485-37-791884-86-5
Hit
C0739
Herb
HBIN021985HBIN021986HBIN021987HBIN046500
Npass
NPC160900
Tcmid
232064397
Tcmsp
MOL000090MOL000892MOL002581
Sym Map
SMIT01361SMIT01681SMIT02767SMIT03395SMIT27612
Tcm Id
1045510456104571045810459104601046110462104631046410465104661046710468104691047010471104721272812729127301273112732127331273412735127361453114532166491665016651166521665316654166551665616657166581665916660180111801218013180141801518016180171984519846198471984822261535853615362
Pub Chem
6604598969516
Tcmbank
TCMBANKIN014776TCMBANKIN028219TCMBANKIN042266TCMBANKIN055548TCMBANKIN061570
Etcm Ingredient
curcumin
Itcmdb Generated
ITX-INGREDIENT-2AECAFF6C466ITX-INGREDIENT-327C309F6E0EITX-INGREDIENT-AF32A4064843ITX-INGREDIENT-BF93F32914DC
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.49562
Jx
1.89805
Jy
1.97869
Bic
0.66609
Cic
1.25925
Phi
7.33529
Sic
0.73516
Log D
4.033
Sc 0
27
Sc 1
28
Sc 2
37
Type
Other ingredients
Alog P
3.554
Chi 0
19.8112
Chi 1
12.9223
Chi 2
11.2501
In Ch I
InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3-,8-4-
Mol Wt
368.385
Pmi X
126.39127.751
Cas Id
485-37-7
Energy
28.4829.24
Sc 3 C
8
Sc 3 P
44
Smiles
C([H])([H])([H])Oc1c([H])c(\C([H])=C([H])\C(=O)C([H])([H])C(=O)\C([H])=C([H])\c2c([H])c(OC([H])([H])[H])c(O[H])c([H])c2[H])c([H])c([H])c1O[H]COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)Oc1([H])c(OC([H])([H])[H])c(O[H])c([H])c([H])c1\C(=C(\C(C([H])([H])C(\C(=C(\c2c([H])c([H])c(O[H])c(OC([H])([H])[H])c2[H])[H])[H])=O)=O)[H])[H]
Zagreb
130
37 Flag
37
Chi 3 C
1.79033
Chi 3 P
8.93107
Chi V 0
15.008
Chi V 1
8.08474
Chi V 2
5.63864
C Count
21
Kappa 1
23.2806
Kappa 2
11.87
Kappa 3
7.73553
Mol Log P
3.369900000000003
N Count
0
O Count
6
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2v2
Alog P Mr
103.387
Chi 3 Ch
0
Dipole X
-0.276810.31902
Dipole Y
-0.523840.50731
Dipole Z
-0.000230.00049
Iac Mean
1.42295
In Ch Ikey
VFLDPWHFBUODDF-FCXRPNKRSA-NVFLDPWHFBUODDF-VHOZIDCHSA-N
Is Chiral
0
Ob Score
4.3714.3713544.3713542235.150768132
Suppress
01
Tcm Name
莪朮黄根姜黄; 广西莪术; 平莪术; 郁金; 姜黄; 白菖; 姜黄
Admet Bbb
-0.544
Chi V 3 C
0.60606
Chi V 3 P
3.67937
Es Sum D O
23.858
Es Sum T N
0
E Adj Equ
353.544
E Adj Mag
459.5
Hba Count
4
Hbd Count
2
Iac Total
66.8787
Jurs Rasa
0.692340.69258
Jurs Rncg
0.15
Jurs Rncs
7.03992
Jurs Rpcg
0.18164
Jurs Rpcs
1.316161.49164
Jurs Rpsa
0.307410.30765
Jurs Sasa
618.518623.882
Jurs Tasa
428.226432.09
Jurs Tpsa
190.292191.792
Num Atoms
27
Num Bonds
28
Num Rings
2
Shadow Xy
109.306109.316
Shadow Xz
59.53359.5588
Shadow Yz
23.774423.8566
Shadow Nu
6.083826.0875
Tcm Name2
HUANG GEN JIANG HUANG; GUANG XI E SHU; PING E SHU; YU JIN; JIANG HUANG; BAI CHANG; JIANG HUANG温郁金Curcuma wenyujin
V Adj Equ
284.941
V Adj Mag
325.212
Mol2 Path
/TCM_database/2003_3d_all/1780.mol2/TCM_database/8.活血化瘀药(33-33)/4.破血消症药(6-6)/莪朮/温郁金Curcuma wenyujin/Structure/curcumin.mol2
Reference
6, 658, 3035, 4099, 4150, 4163, 4416, 4415, 4643, 4655, 5028, 5048, 5345, 5501, 5507, 5508
Chi V 3 Ch
0
Dipole Mag
0.577920.61333
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
19.084
Es Sum Ss O
9.996
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
20.4124
Kappa 2 Am
9.702589.70259
Kappa 3 Am
6.08826
Num Hdonors
2
Num Chains
7
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
2
Num Rings7
0
Num Rings8
0
Es Count D O
2
Es Count T N
0
Es Sum Aa Ch
9.339
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
1.939
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
5.708
Es Sum Dss C
-0.695
Es Sum S Ch3
2.865
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-223.381-226.33
Jurs Dpsa 3
84.789985.6176
Jurs Fnsa 1
0.680570.68138
Jurs Fnsa 2
-1.62509-1.62703
Jurs Fnsa 3
-0.1165
Jurs Fpsa 1
0.318610.31942
Jurs Fpsa 2
0.285780.2865
Jurs Fpsa 3
0.020590.02074
Jurs Pnsa 1
420.949425.106
Jurs Pnsa 2
-1005.14-1015.07
Jurs Pnsa 3
-72.0543-72.6777
Jurs Ppsa 1
197.568198.776
Jurs Ppsa 3
12.735612.9399
Jurs Wnsa 1
260.364265.216
Jurs Wnsa 2
-621.699-633.284
Jurs Wnsa 3
-44.5669-45.3423
Jurs Wpsa 1
122.2124.013
Jurs Wpsa 3
7.877218.07298
Num Pi Bonds
0
Tcm Name En
CurcumaXanthorrhiza Turmeric*; Kwangsi Turmeric; Zedoary Turmeric; Aromatic Turmeric; Common Turmeric; Drug Sweetflag; Common Turmeric
Level1 Name
8.活血化瘀药(33-33)
Level2 Name
4.破血消症药(6-6)
Admet Psa 2 D
94.092
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
2
Es Count Ss O
2
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
-0.267
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
6
Num H Donors
2
Admet Alog P98
3.554
Admet Ext Ppb
3.48518
Drug Likeness
0.548
Es Count Aa Ch
6
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
6
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
4
Es Count Dss C
2
Es Count S Ch3
2
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
6
Num Fragments
1
Num Hydrogens
20
Num Ring Bonds
12
Organic Count
27
Rad Of Gyration
5.483035.61351
Shadow Xyfrac
0.604450.60686
Shadow Xzfrac
0.84615
Shadow Yzfrac
0.80303
Strain Energy
31.9232.59
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
368.126
Molecular Sasa
599.638
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
20.689120.6999
Shadow Ylength
8.705878.73671
Shadow Zlength
3.400393.40067
Level1 Name En
blood-activating and stasis-resolving medicinal
Level2 Name En
blood-breaking mass-eliminating medicinal
Admet Bbb Level
3
Isomeric Smiles
COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)OCOC1=C(C=CC(=C1)/C=C\C(=O)CC(=O)/C=C\C2=CC(=C(C=C2)O)OC)O
Molecular Savol
532.441
Molecule Weight
368.37|368.41368.41
Num Atom Classes
14
Num Bridge Bonds
0
Num H Acceptors
6
Num Repeat Units
0
Admet Ext Cyp2 D6
-4.5256
Admet Solubility
-3.537
Canonical Smiles
COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
Herb Alias Names
458-37-7DiferuloylmethaneNatural yellow 3Kacha haldiIndian saffronCurcumaGelbwurzHaldarCurcumin I
Minimized Energy
-3.35-3.44
Molecular Weight
368.130
Molecular Volume
285.37287.09
Molecular Weight
368.38368.4 g/mol
Molecule Formula
C21H20O6
Num Macro Chains
0
Molecular Formula
C21H20O6
Molecular Formula
C21H20O6IC21H20O6
Molecular Formula
C21H20O6
Num Rotatable Bonds
8
Num Aromatic Bonds
12
Num Aromatic Rings
2
Num Explicit Atoms
27
Num Explicit Bonds
28
Num Negative Atoms
0
Num Positive Atoms
0
Link Ingredient Id
1361.0
Num Macro Residues
0
Num Ring Assemblies
2
Num Rotatable Bonds
8
Molecular Polar Sasa
153.394
Num Bridge Head Atoms
0
Num Chain Assemblies
5
Num Meso Stereo Atoms
0
Molecular Solubility
-5.084
Admet Ext Hepatotoxic
-6.6265
Admet Unknown Alog P98
0
Molecular Surface Area
386.66
Num Explicit Hydrogens
0
Num H Donors Lipinski
2
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
3
Admet Ext Ppb#Prediction
1
Num H Acceptors Lipinski
6
Molecular Polar Surface Area
93.06
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.255
Admet Ext Ppb Applicability#Md
11.1832
Fda Maximum Daily Dose (Fdamdd)
0.776
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
11.937
Admet Ext Ppb Applicability#Mdpvalue
0.392816
Molecular Fractional Polar Surface Area
0.24
Admet Ext Hepatotoxic Applicability#Md
9.51727
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.003376
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.225082
Quantitative Estimate Of Drug Likeness（Qed）
0.548