IngredientID 65686
(E)-1-[2,4-Dihydroxy-3-(3-methyl-2-bu-tenyl)phenyl]-3-(2,2-dimethyl-8-hydroxy-2H-benzopyran-6-yl)-2-propen-l-one
C25H26O5
Relationship Network
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Herb: 3Ingredient: 1Target: 1Links: 5
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65686
- Core Entity Id
- 128335
- Source Entity Count
- 1
- Preferred Name
- (E)-1-[2,4-Dihydroxy-3-(3-methyl-2-bu-tenyl)phenyl]-3-(2,2-dimethyl-8-hydroxy-2H-benzopyran-6-yl)-2-propen-l-one
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C25H26O5
- Molecular Weight
- 406.1800
- 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
(E)-1-[2,4-Dihydroxy-3-(3-methyl-2-bu-tenyl)phenyl]-3-(2,2-dimethyl-8-hydroxy-2H-benzopyran-6-yl)-2-propen-l-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(E)-1-[2,4-Dihydroxy-3-(3-methyl-2-bu-tenyl)phenyl]-3-(2,2-dimethyl-8-hydroxy-2H-benzopyran-6-yl)-2-propen-l-one
Itcmdb Generated
ITX-INGREDIENT-31FA9F180895
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
406.180
Molecular Formula
C25H26O5
Fda Maximum Daily Dose (Fdamdd)
0.891
Quantitative Estimate Of Drug Likeness（Qed）
0.352