Cimifugin
Properties
- Molecular formula
- C16H18O6
- Molar mass
- 306.31 g/mol
- Exact mass
- 306.1103 Da
- logP
- 1.37Crippen estimate
- Polar surface area
- 89.1 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 3
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
37921-38-3SMILES
COc1c2c(cc3oc(CO)cc(=O)c13)O[C@H](C(C)(C)O)C2InChIKey
ATDBDSBKYKMRGZ-ZDUSSCGKSA-NInChI
InChI=1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3/t13-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 5H-Furo[3,2-g][1]benzopyran-5-one, 2,3-dihydro-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-, (2S)-
- 5H-Furo[3,2-g][1]benzopyran-5-one, 2,3-dihydro-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-, (S)-
- (2S)-2,3-Dihydro-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-5H-furo[3,2-g][1]benzopyran-5-one
- Cimitin
- 2,3-Dihydro-7-hydroxymethyl-2-(1-hydroxy-1-methylethyl)-4-methoxy-5H-furo-[3,2-g]-[1]-benzopyran-5-one
- (2S)-7-(Hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
Work with Cimifugin
Similar compounds
Prim-O-glucosylcimifugin80681-45-466 % similar
6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one483-90-943 % similar
Marmesin13849-08-641 % similar
Nodakenetin495-32-941 % similar
(+)-Columbianetin3804-70-440 % similar
5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one973-67-135 % similar
Sinensetin2306-27-634 % similar
Homoplantaginin17680-84-132 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds