Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36442
- Core Entity Id
- 43700
- Source Entity Count
- 1
- Preferred Name
- Vignafuran
- Name En
- Pubchem Id
- 441958
- Smiles Canonical
- COC1=CC2=C(C=C1)C=C(O2)C3=C(C=C(C=C3)O)OC
- Molecular Formula
- C16H14O4
- Molecular Weight
- 270.2840
- Inchikey
- YCDZKMJZSGRQML-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3
- Isomeric Smiles
- COC1=CC2=C(C=C1)C=C(O2)C3=C(C=C(C=C3)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.8226
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Vignafuran
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Vignafuran
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Vignafuran
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
vignafuran
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methoxy-4-(6-methoxy-1-benzofuran-2-yl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methoxy-4-(6-methoxy-1-benzofuran-2-yl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-methoxy-4-(6-methoxybenzofuran-2-yl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methoxy-4-(6-methoxybenzofuran-2-yl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
57800-41-6
Role
alias
Source
HERB_v2
Preferred
No
Name
57800-41-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:9980
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9980
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL233767
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL233767
Role
alias
Source
itcmdb_public
Preferred
No
Name
G9CLF6S56A
Role
alias
Source
HERB_v2
Preferred
No
Name
G9CLF6S56A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 3-methoxy-4-(6-methoxy-2-benzofuranyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 3-methoxy-4-(6-methoxy-2-benzofuranyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-G9CLF6S56A
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-G9CLF6S56A
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran3-methoxy-4-(6-methoxy-1-benzofuran-2-yl)phenol3-methoxy-4-(6-methoxybenzofuran-2-yl)phenol57800-41-6CHEBI:9980CHEMBL233767G9CLF6S56APhenol, 3-methoxy-4-(6-methoxy-2-benzofuranyl)-UNII-G9CLF6S56A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047915
Npass
NPC302181
Tcmid
22458
Pub Chem
441958
Tcmbank
TCMBANKIN032830
Etcm Ingredient
Vignafuran
Itcmdb Generated
ITX-INGREDIENT-48CB8B2EE7C5
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H14O4/c1-18-12-5-3-10-7-16(20-14(10)9-12)13-6-4-11(17)8-15(13)19-2/h3-9,17H,1-2H3
Mol Wt
270.284
Smiles
COC1=CC2=C(C=C1)C=C(O2)C3=C(C=C(C=C3)O)OC
Mol Log P
3.822600000000002
In Ch Ikey
YCDZKMJZSGRQML-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.786
Num Hacceptors
4
Isomeric Smiles
COC1=CC2=C(C=C1)C=C(O2)C3=C(C=C(C=C3)O)OC
Canonical Smiles
COC1=CC2=C(C=C1)C=C(O2)C3=C(C=C(C=C3)O)OC
Herb Alias Names
57800-41-6UNII-G9CLF6S56AG9CLF6S56APhenol, 3-methoxy-4-(6-methoxy-2-benzofuranyl)-CHEBI:9980CHEMBL2337673-methoxy-4-(6-methoxybenzofuran-2-yl)phenol2-(4-Hydroxy-2-methoxyphenyl)-6-methoxybenzofuran3-methoxy-4-(6-methoxy-1-benzofuran-2-yl)phenol
Molecular Weight
270.090
Molecular Weight
270.28 g/mol
Molecular Formula
C16H14O4
Molecular Formula
C16H14O4
Molecular Formula
C16H14O4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.923
Quantitative Estimate Of Drug Likeness（Qed）
0.786