IngredientID 50848
(Z)-1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One
C15H12O4
Relationship Network
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Herb: 12Ingredient: 1Target: 12Links: 24
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 50848
- Core Entity Id
- 93859
- Source Entity Count
- 1
- Preferred Name
- (Z)-1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One
- Name En
- Pubchem Id
- 6603886
- Smiles Canonical
- C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O
- Molecular Formula
- C15H12O4
- Molecular Weight
- 256.2500
- Inchikey
- DXDRHHKMWQZJHT-BAQGIRSFSA-N
- Inchi
- InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3-
- Isomeric Smiles
- Cas Id
- 961-29-5
- Ob Score
- 87.5085
- Mol Logp
- 3.2000
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 77.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(Z)-1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lopac-I-3766
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015556-01
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Lopac-I-3766NCGC00015556-01
Cross References
Trusted external identifiers retained for this final record.
Pub Chem
6603886
Tcmbank
TCMBANKIN036037
Etcm Ingredient
(Z)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Itcmdb Generated
ITX-INGREDIENT-770F4AA0F35E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O
Version
v1,v2
Ob Score
87.5084517387.508452
Suppress
0
Molecule Weight
256.27
Molecular Weight
256.070
Molecular Weight
256.25
Molecular Formula
C15H12O4
Molecular Formula
C15H12O4
Fda Maximum Daily Dose (Fdamdd)
0.532
Quantitative Estimate Of Drug Likeness（Qed）
0.583