Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 16Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40087
- Core Entity Id
- 79987
- Source Entity Count
- 1
- Preferred Name
- 1-[(z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxybenzene
- Name En
- Pubchem Id
- 11472105
- Smiles Canonical
- COC1=CC(=CC(=C1)C=CC2=CC(=CC(=C2)OC)OC)OC
- Molecular Formula
- C18H20O4
- Molecular Weight
- 300.3540
- Inchikey
- PVCLRSRSMZBWMF-WAYWQWQTSA-N
- Inchi
- InChI=1S/C18H20O4/c1-19-15-7-13(8-16(11-15)20-2)5-6-14-9-17(21-3)12-18(10-14)22-4/h5-12H,1-4H3/b6-5-
- Isomeric Smiles
- COC1=CC(=CC(=C1)/C=C\C2=CC(=CC(=C2)OC)OC)OC
- Cas Id
- Ob Score
- 41.6869
- Mol Logp
- 3.8914
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.7580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-[(Z)-2-(3,5-Dimethoxyphenyl)Vinyl]-3,5-Dimethoxybenzene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1-[(Z)-2-(3,5-Dimethoxyphenyl)Vinyl]-3,5-Dimethoxybenzene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-[(Z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxybenzene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-[(Z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxybenzene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-[(z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxybenzene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-[(z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxybenzene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(Z)-3,3',5,5'-Tetramethoxystilbene
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-3,3',5,5'-Tetramethoxystilbene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-3,5,30,50-Tetramethoxystilbene
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-3,5,30,50-Tetramethoxystilbene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxy-benzene
Role
alias
Source
TCMBank
Preferred
No
Name
1-[(Z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxy-benzene
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1172102
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1172102
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(Z)-3,3',5,5'-Tetramethoxystilbene(Z)-3,5,30,50-Tetramethoxystilbene1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxy-benzene1-[(Z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxy-benzeneCHEMBL1172102
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003372
Tcmsp
MOL011704
Sym Map
SMIT12573
Pub Chem
11472105
Tcmbank
TCMBANKIN022728
Etcm Ingredient
1-[(Z)-2-(3,5-dimethoxyphenyl)vinyl]-3,5-dimethoxybenzene
Itcmdb Generated
ITX-INGREDIENT-615E9AE2D64F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H20O4/c1-19-15-7-13(8-16(11-15)20-2)5-6-14-9-17(21-3)12-18(10-14)22-4/h5-12H,1-4H3/b6-5-
Mol Wt
300.354
Mol Log P
3.891400000000004
Version
v1,v2
In Ch Ikey
PVCLRSRSMZBWMF-WAYWQWQTSA-N
Ob Score
41.68693841.6869383541.687
Suppress
0
Num Hdonors
0
Drug Likeness
0.758
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=CC(=C1)/C=C\C2=CC(=CC(=C2)OC)OC)OC
Molecule Weight
300.38
Canonical Smiles
COC1=CC(=CC(=C1)C=CC2=CC(=CC(=C2)OC)OC)OC
Herb Alias Names
(Z)-3,3',5,5'-TetramethoxystilbeneCHEMBL1172102(Z)-3,5,30,50-Tetramethoxystilbene
Molecular Weight
300.140
Molecular Weight
300.38
Molecular Formula
C18H20O4
Molecular Formula
C18H20O4
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.466
Quantitative Estimate Of Drug Likeness（Qed）
0.758