Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36404
- Core Entity Id
- 43657
- Source Entity Count
- 1
- Preferred Name
- Verussustilbene
- Name En
- Pubchem Id
- 5315205
- Smiles Canonical
- COC1=C(C=CC(=C1O)C=CC2=CC(=CC(=C2)O)O)O
- Molecular Formula
- C15H14O5
- Molecular Weight
- 274.2720
- Inchikey
- VXLRGWYITQYDOS-NSCUHMNNSA-N
- Inchi
- InChI=1S/C15H14O5/c1-20-15-13(18)5-4-10(14(15)19)3-2-9-6-11(16)8-12(17)7-9/h2-8,16-19H,1H3/b3-2+
- Isomeric Smiles
- COC1=C(C=CC(=C1O)/C=C/C2=CC(=CC(=C2)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.6880
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Verussustilbene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Verussustilbene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
verussustilbene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10-13-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-13-9
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxybenzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxybenzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10-13-94-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxybenzene-1,3-diol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047873
Npass
NPC25655
Tcmid
22418
Pub Chem
5315205
Tcmbank
TCMBANKIN031491
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H14O5/c1-20-15-13(18)5-4-10(14(15)19)3-2-9-6-11(16)8-12(17)7-9/h2-8,16-19H,1H3/b3-2+
Mol Wt
274.272
Smiles
COC1=C(C=CC(=C1O)C=CC2=CC(=CC(=C2)O)O)O
Mol Log P
2.688000000000002
In Ch Ikey
VXLRGWYITQYDOS-NSCUHMNNSA-N
Num Hdonors
4
Drug Likeness
0.646
Num Hacceptors
5
Isomeric Smiles
COC1=C(C=CC(=C1O)/C=C/C2=CC(=CC(=C2)O)O)O
Canonical Smiles
COC1=C(C=CC(=C1O)C=CC2=CC(=CC(=C2)O)O)O
Herb Alias Names
4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxybenzene-1,3-diol10-13-9
Molecular Formula
C15H14O5
Molecular Formula
C15H14O5
Num Rotatable Bonds
3