Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3182
- Core Entity Id
- 6724
- Source Entity Count
- 1
- Preferred Name
- 3,3'-dimethoxy-cis-stilbene-4,4'-diol
- Name En
- Pubchem Id
- 9548762
- Smiles Canonical
- COC1=C(C=CC(=C1)C=CC2=CC(=C(C=C2)O)OC)O
- Molecular Formula
- C16H16O4
- Molecular Weight
- 272.3000
- Inchikey
- KQPXJFAYGYIGRU-ARJAWSKDSA-N
- Inchi
- InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3-
- Isomeric Smiles
- COC1=C(C=CC(=C1)/C=C\C2=CC(=C(C=C2)O)OC)O
- Cas Id
- Ob Score
- 3.9600
- Mol Logp
- 3.2854
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,3'-Dimethoxy-Cis-Stilbene-4,4'-Diol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3,3'-Dimethoxy-Cis-Stilbene-4,4'-Diol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,3'-dimethoxy-cis-stilbene-4,4'-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,3'-dimethoxy-cis-stilbene-4,4'-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,3'-dimethoxy-cis-stilbene-4,4'-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,3'-dimethoxy-cis-stilbene-4,4'-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,2'-dimethoxy-4,4'-[(1Z)-ethene-1,2-diyl]diphenol
Role
alias
Source
TCMBank
Preferred
No
Name
2,2'-dimethoxy-4,4'-[(1Z)-ethene-1,2-diyl]diphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2'-dimethoxy-4,4'-[(1Z)-ethene-1,2-diyl]diphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4'-(Z)-ethene-1,2-diylbis(2-methoxyphenol)
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4'-(Z)-ethene-1,2-diylbis(2-methoxyphenol)
Role
alias
Source
TCMBank
Preferred
No
Name
4,4'-(Z)-ethene-1,2-diylbis(2-methoxyphenol)
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,4'-dihydroxy-3,3'-dimethoxystilbene
Role
alias
Source
HERB_v2
Preferred
No
Name
4,4'-dihydroxy-3,3'-dimethoxystilbene
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol
Role
alias
Source
TCMBank
Preferred
No
Name
4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-2-methoxyphenol
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:36391
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:36391
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:36391
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27116807
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27116807
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL17732299
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL17732299
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,2'-dimethoxy-4,4'-[(1Z)-ethene-1,2-diyl]diphenol4,4'-(Z)-ethene-1,2-diylbis(2-methoxyphenol)4,4'-dihydroxy-3,3'-dimethoxystilbene4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)vinyl]-2-methoxyphenolCHEBI:36391Q27116807SCHEMBL17732299
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007179
Tcmsp
MOL011567
Sym Map
SMIT12447
Pub Chem
9548762
Tcmbank
TCMBANKIN036109
Etcm Ingredient
3,3'-dimethoxy-cis-stilbene-4,4'-diol
Itcmdb Generated
ITX-INGREDIENT-C039B942487E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3/b4-3-
Mol Wt
272.3
Smiles
COC1=C(C=CC(=C1)C=CC2=CC(=C(C=C2)O)OC)O
Mol Log P
3.285400000000003
Version
v1,v2
In Ch Ikey
KQPXJFAYGYIGRU-ARJAWSKDSA-N
Ob Score
3.963.9602627423.960263
Suppress
0
Num Hdonors
2
Drug Likeness
0.838
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=CC(=C1)/C=C\C2=CC(=C(C=C2)O)OC)O
Molecule Weight
272.32
Canonical Smiles
COC1=C(C=CC(=C1)C=CC2=CC(=C(C=C2)O)OC)O
Herb Alias Names
4,4'-dihydroxy-3,3'-dimethoxystilbeneSCHEMBL17732299CHEBI:363914,4'-(Z)-ethene-1,2-diylbis(2-methoxyphenol)Q271168072,2'-dimethoxy-4,4'-[(1Z)-ethene-1,2-diyl]diphenol4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxyphenol
Molecular Weight
272.100
Molecular Weight
272.29 g/mol
Molecular Formula
C16H16O4
Molecular Formula
C16H16O4
Molecular Formula
C16H16O4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.119
Quantitative Estimate Of Drug Likeness（Qed）
0.838