Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29736
- Core Entity Id
- 36235
- Source Entity Count
- 1
- Preferred Name
- Phoyunbene a
- Name En
- Pubchem Id
- 11522311
- Smiles Canonical
- COC1=C(C(=C(C=C1)C=CC2=CC(=CC(=C2)OC)O)OC)O
- Molecular Formula
- C17H18O5
- Molecular Weight
- 302.3260
- Inchikey
- DYWOJJOORBDHBP-SNAWJCMRSA-N
- Inchi
- InChI=1S/C17H18O5/c1-20-14-9-11(8-13(18)10-14)4-5-12-6-7-15(21-2)16(19)17(12)22-3/h4-10,18-19H,1-3H3/b5-4+
- Isomeric Smiles
- COC1=C(C(=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.2940
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phoyunbene A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Phoyunbene A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Phoyunbene a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phoyunbene a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
云南石仙桃
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUN NAN SHI XIAN TAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yunnan Pholidota
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2,6-dimethoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2,6-dimethoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
886747-61-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
886747-61-1
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:66753
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:66753
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2012416
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2012416
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27135378
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27135378
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-3,3'-Dihydroxy-2',4',5-trimethoxystilbene
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-3,3'-Dihydroxy-2',4',5-trimethoxystilbene
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
云南石仙桃YUN NAN SHI XIAN TAOYunnan Pholidota3-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2,6-dimethoxyphenol886747-61-1CHEBI:66753CHEMBL2012416Q27135378trans-3,3'-Dihydroxy-2',4',5-trimethoxystilbene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039628
Npass
NPC299584
Tcmid
17182
Pub Chem
11522311
Tcmbank
TCMBANKIN048396
Etcm Ingredient
Phoyunbene A
Itcmdb Generated
ITX-INGREDIENT-64F734EBC13E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H18O5/c1-20-14-9-11(8-13(18)10-14)4-5-12-6-7-15(21-2)16(19)17(12)22-3/h4-10,18-19H,1-3H3/b5-4+
Mol Wt
302.326
Mol Log P
3.294000000000002
In Ch Ikey
DYWOJJOORBDHBP-SNAWJCMRSA-N
Tcm Name
云南石仙桃
Tcm Name2
YUN NAN SHI XIAN TAO
Mol2 Path
/TCM_database/2007_3d_all/17196.mol2
Reference
17
Num Hdonors
2
Tcm Name En
Yunnan Pholidota
Drug Likeness
0.829
Num Hacceptors
5
Isomeric Smiles
COC1=C(C(=C(C=C1)/C=C/C2=CC(=CC(=C2)OC)O)OC)O
Canonical Smiles
COC1=C(C(=C(C=C1)C=CC2=CC(=CC(=C2)OC)O)OC)O
Herb Alias Names
CHEBI:667533-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2,6-dimethoxyphenoltrans-3,3'-Dihydroxy-2',4',5-trimethoxystilbene3-((E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl)-2,6-dimethoxyphenolCHEMBL2012416Q27135378886747-61-1
Molecular Weight
302.120
Molecular Weight
302.32 g/mol
Molecular Formula
C17H18O5
Molecular Formula
C17H18O5
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.186
Quantitative Estimate Of Drug Likeness（Qed）
0.829