Bavachinin
Properties
- Molecular formula
- C21H22O4
- Molar mass
- 338.40 g/mol
- Exact mass
- 338.1518 Da
- Melting point
- 154–155 °C
- logP
- 4.62Crippen estimate
- Polar surface area
- 55.8 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 4
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H400 Very toxic to aquatic life100% of notifiers
- H410 Very toxic to aquatic life with long lasting effects100% of notifiers
Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P273, P391, P501
Identifiers
CAS number
19879-30-2SMILES
COc1cc2c(cc1CC=C(C)C)C(=O)C[C@@H](c1ccc(O)cc1)O2InChIKey
VOCGSQHKPZSIKB-FQEVSTJZSA-NInChI
InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3/t20-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-, (2S)-
- Flavanone, 4′-hydroxy-7-methoxy-6-(3-methyl-2-butenyl)-
- 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-butenyl)-, (S)-
- 4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-butenyl)-, (2S)-
- (2S)-2,3-Dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
- 7-O-Methylbavachin
- Bavachinin A
Work with Bavachinin
Similar compounds
Bavachin19879-32-478 % similar
Isoxanthohumol70872-29-661 % similar
Liquiritigenin578-86-957 % similar
Isobavachin31524-62-656 % similar
8-Prenylnaringenin53846-50-753 % similar
4′-Hydroxyflavanone6515-37-352 % similar
Sakuranetin2957-21-352 % similar
Alpinetin36052-37-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds