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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29739
- Core Entity Id
- 36238
- Source Entity Count
- 1
- Preferred Name
- Phoyunbene d
- Name En
- Pubchem Id
- 11601663
- Smiles Canonical
- COC1=CC=CC(=C1OC)C=CC2=CC(=CC(=C2)OC)O
- Molecular Formula
- C17H18O4
- Molecular Weight
- 286.3270
- Inchikey
- JTNSCGPJCOQOIF-BQYQJAHWSA-N
- Inchi
- InChI=1S/C17H18O4/c1-19-15-10-12(9-14(18)11-15)7-8-13-5-4-6-16(20-2)17(13)21-3/h4-11,18H,1-3H3/b8-7+
- Isomeric Smiles
- COC1=CC=CC(=C1OC)/C=C/C2=CC(=CC(=C2)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.5884
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phoyunbene D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Phoyunbene d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phoyunbene d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
phoyunbene d
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-((E)-2-(2,3-dimethoxyphenyl)ethenyl)-5-methoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-methoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
886747-64-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
886747-64-4
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:66756
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66756
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2012419
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2012419
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27135382
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27135382
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-3-Hydroxy-2',3',5-trimethoxystilbene
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-3-Hydroxy-2',3',5-trimethoxystilbene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3-((E)-2-(2,3-dimethoxyphenyl)ethenyl)-5-methoxyphenol3-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-methoxyphenol886747-64-4CHEBI:66756CHEMBL2012419Q27135382trans-3-Hydroxy-2',3',5-trimethoxystilbene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039631
Npass
NPC75713
Tcmid
17185
Pub Chem
11601663
Tcmbank
TCMBANKIN037587
Etcm Ingredient
Phoyunbene D
Itcmdb Generated
ITX-INGREDIENT-178B8747BCAD
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H18O4/c1-19-15-10-12(9-14(18)11-15)7-8-13-5-4-6-16(20-2)17(13)21-3/h4-11,18H,1-3H3/b8-7+
Mol Wt
286.327
Smiles
COC1=CC=CC(=C1OC)C=CC2=CC(=CC(=C2)OC)O
Mol Log P
3.588400000000003
In Ch Ikey
JTNSCGPJCOQOIF-BQYQJAHWSA-N
Mol2 Path
/TCM_database/2007_3d_all/17199.mol2
Reference
17
Num Hdonors
1
Drug Likeness
0.853
Num Hacceptors
4
Isomeric Smiles
COC1=CC=CC(=C1OC)/C=C/C2=CC(=CC(=C2)OC)O
Canonical Smiles
COC1=CC=CC(=C1OC)C=CC2=CC(=CC(=C2)OC)O
Herb Alias Names
CHEBI:667563-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-5-methoxyphenoltrans-3-Hydroxy-2',3',5-trimethoxystilbene3-((E)-2-(2,3-dimethoxyphenyl)ethenyl)-5-methoxyphenolCHEMBL2012419Q27135382886747-64-4
Molecular Weight
286.120
Molecular Weight
286.32 g/mol
Molecular Formula
C17H18O4
Molecular Formula
C17H18O4
Molecular Formula
C17H18O4
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.154
Quantitative Estimate Of Drug Likeness（Qed）
0.853