IngredientID 65687
(E)-1-[2,4-dihydroxy-5-[(E)-3-methylbut-1-enyl]phenyl]-3-[4-hydroxy-3-[(E)-3-methylbut-1-enyl]phenyl]prop-2-en-1-one
C25H28O4
Relationship Network
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Herb: 3Ingredient: 1Target: 5Links: 13
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65687
- Core Entity Id
- 128336
- Source Entity Count
- 1
- Preferred Name
- (E)-1-[2,4-dihydroxy-5-[(E)-3-methylbut-1-enyl]phenyl]-3-[4-hydroxy-3-[(E)-3-methylbut-1-enyl]phenyl]prop-2-en-1-one
- Name En
- Pubchem Id
- 5935664
- Smiles Canonical
- CC(C)C=CC1=CC(=C(C=C1O)O)C(=O)C=CC2=CC(=C(C=C2)O)C=CC(C)C
- Molecular Formula
- C25H28O4
- Molecular Weight
- 392.2000
- Inchikey
- BRVDTPPYDGFOJS-FUJKHKHKSA-N
- Inchi
- InChI=1S/C25H28O4/c1-16(2)5-9-19-13-18(7-11-22(19)26)8-12-23(27)21-14-20(10-6-17(3)4)24(28)15-25(21)29/h5-17,26,28-29H,1-4H3/b9-5+,10-6+,12-8+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.7000
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 77.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-1-[2,4-dihydroxy-5-[(E)-3-methylbut-1-enyl]phenyl]-3-[4-hydroxy-3-[(E)-3-methylbut-1-enyl]phenyl]prop-2-en-1-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-5-[(E)-3-methylbut-1-enyl]phenyl]-3-[4-hydroxy-3-[(E)-3-methylbut-1-enyl]phenyl]prop-2-en-1-one
Itcmdb Generated
ITX-INGREDIENT-4DA535F02084
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
392.200
Molecular Formula
C25H28O4
Fda Maximum Daily Dose (Fdamdd)
0.866
Quantitative Estimate Of Drug Likeness（Qed）
0.397