Isoxanthohumol
Properties
- Molecular formula
- C21H22O5
- Molar mass
- 354.40 g/mol
- Exact mass
- 354.1467 Da
- Melting point
- 196–208 °C
- logP
- 4.32Crippen estimate
- Polar surface area
- 76.0 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 4
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
70872-29-6SMILES
COc1cc(O)c(CC=C(C)C)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2InChIKey
YKGCBLWILMDSAV-SFHVURJKSA-NInChI
InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3/t18-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-buten-1-yl)-, (2S)-
- 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-, (S)-
- 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-, (2S)-
- (2S)-2,3-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
- Isoxanthohumol (sophora)
- (2S)-7,4′-Dihydroxy-5-methoxy-8-(γ,γ-dimethylallyl)flavanone
- (-)-Isoxanthohumol
- (2S)-7-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Work with Isoxanthohumol
Similar compounds
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Bavachinin19879-30-261 % similar
Bavachin19879-32-460 % similar
Sakuranetin2957-21-356 % similar
Alpinetin36052-37-652 % similar
Naringenin480-41-152 % similar
(±)-Naringenin67604-48-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds