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
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32658
- Core Entity Id
- 39493
- Source Entity Count
- 1
- Preferred Name
- Sativan
- Name En
- Pubchem Id
- 596401
- Smiles Canonical
- COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC
- Molecular Formula
- C17H18O4
- Molecular Weight
- 286.3270
- Inchikey
- TUXCLJQCYVCGDW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3
- Isomeric Smiles
- COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.1281
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.9410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sativan
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(-)-sativan
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sativan
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sativan
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sativan
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sativan
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2'-O-Methylvestitol
Role
alias
Source
HERB_v2
Preferred
No
Name
2'-O-Methylvestitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-1-Benzopyran-7-ol, 3-(2,4-dimethoxyphenyl)-3,4-dihydro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-1-Benzopyran-7-ol, 3-(2,4-dimethoxyphenyl)-3,4-dihydro-
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-Dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2,4-Dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
56701-26-9
Role
alias
Source
HERB_v2
Preferred
No
Name
56701-26-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-2',4'-dimethoxyisoflavan
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-2',4'-dimethoxyisoflavan
Role
alias
Source
HERB_v2
Preferred
No
Name
71831-00-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
71831-00-0
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040762304
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040762304
Role
alias
Source
HERB_v2
Preferred
No
Name
TUXCLJQCYVCGDW-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
TUXCLJQCYVCGDW-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sativin (alfalfa)
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-sativan2'-O-Methylvestitol2H-1-Benzopyran-7-ol, 3-(2,4-dimethoxyphenyl)-3,4-dihydro-3-(2,4-Dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol3-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol56701-26-97-hydroxy-2',4'-dimethoxyisoflavan71831-00-0AKOS040762304TUXCLJQCYVCGDW-UHFFFAOYSA-NSativin (alfalfa)
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043205
Tcmid
36660
Sym Map
SMIT26664
Pub Chem
596401
Tcmbank
TCMBANKIN004945TCMBANKIN061703
Etcm Ingredient
(-)-sativan
Itcmdb Generated
ITX-INGREDIENT-4C958B4A3F6AITX-INGREDIENT-64CE70B7DBB5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H18O4/c1-19-14-5-6-15(17(9-14)20-2)12-7-11-3-4-13(18)8-16(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3
Mol Wt
286.327
Smiles
COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC
Mol Log P
3.128100000000003
Version
v2
In Ch Ikey
TUXCLJQCYVCGDW-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.941
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC
Canonical Smiles
COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC
Herb Alias Names
71831-00-03-(2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol7-hydroxy-2',4'-dimethoxyisoflavan2'-O-Methylvestitol3-(2,4-Dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol56701-26-9TUXCLJQCYVCGDW-UHFFFAOYSA-N2H-1-Benzopyran-7-ol, 3-(2,4-dimethoxyphenyl)-3,4-dihydro-AKOS040762304
Molecular Weight
286.120
Molecular Weight
286.32 g/mol
Molecular Formula
C17H18O4
Molecular Formula
C17H18O4
Molecular Formula
C17H18O4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.948
Quantitative Estimate Of Drug Likeness（Qed）
0.941