Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 6Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5916
- Core Entity Id
- 9760
- Source Entity Count
- 1
- Preferred Name
- 4-[(e)-2-(2,4-dihydroxyphenyl)vinyl]resorcinol
- Name En
- Pubchem Id
- 9881314
- Smiles Canonical
- C1=CC(=C(C=C1O)O)C=CC2=C(C=C(C=C2)O)O
- Molecular Formula
- C14H12O4
- Molecular Weight
- 244.2460
- Inchikey
- APWKNEXHUCDLQA-OWOJBTEDSA-N
- Inchi
- InChI=1S/C14H12O4/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h1-8,15-18H/b2-1+
- Isomeric Smiles
- C1=CC(=C(C=C1O)O)/C=C/C2=C(C=C(C=C2)O)O
- Cas Id
- Ob Score
- 81.5510
- Mol Logp
- 2.6794
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-[(E)-2-(2,4-Dihydroxyphenyl)Vinyl]Resorcinol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-[(E)-2-(2,4-Dihydroxyphenyl)Vinyl]Resorcinol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-[(E)-2-(2,4-dihydroxyphenyl)vinyl]resorcinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-[(E)-2-(2,4-dihydroxyphenyl)vinyl]resorcinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-[(e)-2-(2,4-dihydroxyphenyl)vinyl]resorcinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-[(e)-2-(2,4-dihydroxyphenyl)vinyl]resorcinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
4-[(E)-2-(2,4-dihydroxyphenyl)vinyl]benzene-1,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL1822010
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1822010
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol4-[(E)-2-(2,4-dihydroxyphenyl)vinyl]benzene-1,3-diolSCHEMBL1822010
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010332
Tcmsp
MOL012739
Sym Map
SMIT13471
Pub Chem
9881314
Tcmbank
TCMBANKIN008382
Etcm Ingredient
4-[(E)-2-(2,4-dihydroxyphenyl)vinyl]resorcinol
Itcmdb Generated
ITX-INGREDIENT-098A79463FD8
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H12O4/c15-11-5-3-9(13(17)7-11)1-2-10-4-6-12(16)8-14(10)18/h1-8,15-18H/b2-1+
Mol Wt
244.246
Mol Log P
2.679400000000002
Version
v1,v2
In Ch Ikey
APWKNEXHUCDLQA-OWOJBTEDSA-N
Ob Score
81.55181.55113381.55113316
Suppress
0
Num Hdonors
4
Drug Likeness
0.612
Num Hacceptors
4
Isomeric Smiles
C1=CC(=C(C=C1O)O)/C=C/C2=C(C=C(C=C2)O)O
Molecule Weight
244.26
Canonical Smiles
C1=CC(=C(C=C1O)O)C=CC2=C(C=C(C=C2)O)O
Herb Alias Names
SCHEMBL1822010
Molecular Weight
244.070
Molecular Weight
244.26
Molecular Formula
C14H12O4
Molecular Formula
C14H12O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.455
Quantitative Estimate Of Drug Likeness（Qed）
0.612