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
- 29738
- Core Entity Id
- 36237
- Source Entity Count
- 1
- Preferred Name
- Phoyunbene c
- Name En
- Pubchem Id
- 11507326
- Smiles Canonical
- COC1=CC(=CC(=C1)O)C=CC2=C(C(=CC=C2)O)OC
- Molecular Formula
- C16H16O4
- Molecular Weight
- 272.3000
- Inchikey
- NYSXLCHSDQNVBS-VOTSOKGWSA-N
- Inchi
- InChI=1S/C16H16O4/c1-19-14-9-11(8-13(17)10-14)6-7-12-4-3-5-15(18)16(12)20-2/h3-10,17-18H,1-2H3/b7-6+
- Isomeric Smiles
- COC1=CC(=CC(=C1)O)/C=C/C2=C(C(=CC=C2)O)OC
- Cas Id
- Ob Score
- 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
Phoyunbene C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Phoyunbene C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Phoyunbene c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Phoyunbene c
Role
preferred
Source
itcmdb_public
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-methoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2-methoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
886747-63-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
886747-63-3
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040762872
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040762872
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:66755
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66755
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2012418
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2012418
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27135380
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27135380
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-3,3'-Dihydroxy-2',5-dimethoxystilbene
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-3,3'-Dihydroxy-2',5-dimethoxystilbene
Role
alias
Source
itcmdb_public
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-methoxyphenol886747-63-3AKOS040762872CHEBI:66755CHEMBL2012418Q27135380trans-3,3'-Dihydroxy-2',5-dimethoxystilbene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039630
Npass
NPC95168
Tcmid
17184
Pub Chem
11507326
Tcmbank
TCMBANKIN048262
Etcm Ingredient
Phoyunbene C
Itcmdb Generated
ITX-INGREDIENT-33CF91647C1A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H16O4/c1-19-14-9-11(8-13(17)10-14)6-7-12-4-3-5-15(18)16(12)20-2/h3-10,17-18H,1-2H3/b7-6+
Mol Wt
272.3
Mol Log P
3.285400000000002
In Ch Ikey
NYSXLCHSDQNVBS-VOTSOKGWSA-N
Tcm Name
云南石仙桃
Tcm Name2
YUN NAN SHI XIAN TAO
Mol2 Path
/TCM_database/2007_3d_all/17198.mol2
Reference
17
Num Hdonors
2
Tcm Name En
Yunnan Pholidota
Drug Likeness
0.838
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=CC(=C1)O)/C=C/C2=C(C(=CC=C2)O)OC
Canonical Smiles
COC1=CC(=CC(=C1)O)C=CC2=C(C(=CC=C2)O)OC
Herb Alias Names
CHEBI:66755886747-63-33-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2-methoxyphenoltrans-3,3'-Dihydroxy-2',5-dimethoxystilbene3-((E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl)-2-methoxyphenolCHEMBL2012418AKOS040762872Q27135380
Molecular Weight
272.100
Molecular Weight
272.29 g/mol
Molecular Formula
C16H16O4
Molecular Formula
C16H16O4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.324
Quantitative Estimate Of Drug Likeness（Qed）
0.838