Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65451
- Core Entity Id
- 128100
- Source Entity Count
- 1
- Preferred Name
- (2S)-5-Hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone
- Name En
- Pubchem Id
- 10980660
- Smiles Canonical
- CC(=O)C=CC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)OC
- Molecular Formula
- C20H18O5
- Molecular Weight
- 338.1200
- Inchikey
- GAGKUHAKUBMORD-IJDCCNJMSA-N
- Inchi
- InChI=1S/C20H18O5/c1-12(21)8-9-14-18(24-2)11-16(23)19-15(22)10-17(25-20(14)19)13-6-4-3-5-7-13/h3-9,11,17,23H,10H2,1-2H3/b9-8+/t17-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 72.8000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(2S)-5-Hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone
Itcmdb Generated
ITX-INGREDIENT-0282E1C1C856
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
338.120
Molecular Formula
C20H18O5
Fda Maximum Daily Dose (Fdamdd)
0.873
Quantitative Estimate Of Drug Likeness（Qed）
0.860