IngredientID 65266
(1S,2S,3S,4R)-1,2,3-trihydroxycyclohexane-1,4-diyl(2E,2'E)bis[3-(3,4-dihydroxyphenyl)acrylate]
C25H24O12
Relationship Network
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Herb: 1Ingredient: 1Target: 3Links: 7
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65266
- Core Entity Id
- 127915
- Source Entity Count
- 1
- Preferred Name
- (1S,2S,3S,4R)-1,2,3-trihydroxycyclohexane-1,4-diyl(2E,2'E)bis[3-(3,4-dihydroxyphenyl)acrylate]
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C25H24O12
- Molecular Weight
- 516.1300
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1S,2S,3S,4R)-1,2,3-trihydroxycyclohexane-1,4-diyl(2E,2'E)bis[3-(3,4-dihydroxyphenyl)acrylate]
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(1S,2S,3S,4R)-1,2,3-trihydroxycyclohexane-1,4-diyl(2E,2'E)bis[3-(3,4-dihydroxyphenyl)acrylate]
Itcmdb Generated
ITX-INGREDIENT-3B0588D7FFDE
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
516.130
Molecular Formula
C25H24O12
Fda Maximum Daily Dose (Fdamdd)
0.769
Quantitative Estimate Of Drug Likeness（Qed）
0.156