Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68494
- Core Entity Id
- 131143
- Source Entity Count
- 1
- Preferred Name
- 4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
- Name En
- Pubchem Id
- 5281717
- Smiles Canonical
- C1=CC(=C(C=C1O)O)C=CC2=CC(=CC(=C2)O)O
- Molecular Formula
- C14H12O4
- Molecular Weight
- 244.0700
- Inchikey
- PDHAOJSHSJQANO-OWOJBTEDSA-N
- Inchi
- InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.8000
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 80.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4-[2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,3-diol
Itcmdb Generated
ITX-INGREDIENT-0EC74B33C07C
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
244.070
Molecular Formula
C14H12O4
Fda Maximum Daily Dose (Fdamdd)
0.815
Quantitative Estimate Of Drug Likeness（Qed）
0.612