Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 12Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7260
- Core Entity Id
- 11252
- Source Entity Count
- 1
- Preferred Name
- 5-[(z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]resorcinol
- Name En
- Pubchem Id
- 21681009
- Smiles Canonical
- COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)O
- Molecular Formula
- C15H14O4
- Molecular Weight
- 258.2730
- Inchikey
- ANNNBEZJTNCXHY-IHWYPQMZSA-N
- Inchi
- InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2-
- Isomeric Smiles
- COC1=C(C=CC(=C1)/C=C\C2=CC(=CC(=C2)O)O)O
- Cas Id
- 32507-66-7
- Ob Score
- 81.6225
- Mol Logp
- 2.9824
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-[(Z)-2-(4-Hydroxy-3-Methoxy-Phenyl)Vinyl]Resorcinol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
5-[(Z)-2-(4-Hydroxy-3-Methoxy-Phenyl)Vinyl]Resorcinol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]resorcinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]resorcinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-[(z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]resorcinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5-[(z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]resorcinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)ethenyl]benzene-1,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
5-[(Z)-2-(4-hydroxy-3-methoxyphenyl)vinyl]benzene-1,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
Isorhapontigenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
isorhapontigenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-5-(4-hydroxy-3-methoxystyryl)benzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
3'-Methoxyresveratrol
Role
alias
Source
HERB_v2
Preferred
No
Name
32507-66-7
Role
alias
Source
HERB_v2
Preferred
No
Name
5-((1E)-2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL)-1,3-BENZENEDIOL
Role
alias
Source
HERB_v2
Preferred
No
Name
5-[(1E)-2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL]-1,3-BENZENEDIOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-[2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1,3-benzenediol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CZ49V3K5HS
Role
alias
Source
HERB_v2
Preferred
No
Name
Isorhapotogenin
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)ethenyl]benzene-1,3-diol5-[(Z)-2-(4-hydroxy-3-methoxyphenyl)vinyl]benzene-1,3-diolIsorhapontigenin(E)-5-(4-hydroxy-3-methoxystyryl)benzene-1,3-diol3'-Methoxyresveratrol32507-66-75-((1E)-2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL)-1,3-BENZENEDIOL5-[(1E)-2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL]-1,3-BENZENEDIOL5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol5-[2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1,3-benzenediolCZ49V3K5HSIsorhapotogenin
Cross References
Trusted external identifiers retained for this final record.
Cas
32507-66-7
Herb
HBIN011961HBIN031175
Npass
NPC10932
Tcmid
11669
Tcmsp
MOL003763
Sym Map
SMIT05786
Pub Chem
216810095318650
Tcmbank
TCMBANKIN035414TCMBANKIN036844
Etcm Ingredient
5-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]resorcinolIsorhapontigenin
Itcmdb Generated
ITX-INGREDIENT-D033AAE1C32CITX-INGREDIENT-CF3F8BB0C1AD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2-
Mol Wt
258.273
Cas Id
32507-66-7
Smiles
COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)O
Mol Log P
2.982400000000002
Version
v1,v2
In Ch Ikey
ANNNBEZJTNCXHY-IHWYPQMZSA-N
Ob Score
81.6225281.6225201981.623
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/11672.mol2
Reference
660, 2233, 2234, 4514, 5038
Num Hdonors
3
Drug Likeness
0.74
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=CC(=C1)/C=C\C2=CC(=CC(=C2)O)O)O
Molecule Weight
258.29
Canonical Smiles
COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)O
Molecular Weight
258.090
Molecular Weight
258.27
Molecular Formula
C15H14O4
Molecular Formula
C15H14O4
Molecular Formula
C15H14O4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.718
Quantitative Estimate Of Drug Likeness（Qed）
0.740