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Deguelin

Properties

Image

Occurences in reactions

MNX_ID

MNXM11311

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₂₃H₂₂O₆

charge

mass

394.14164

reference

chebi:4357

InChIKey

ORDAZKGHSNRHTD-UXHICEINSA-N

InChI

InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1

SMILES

COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4357 chebi:4357 kegg.compound:C10417 keggC:C10417	Deguelin
lipidmaps:LMPK12060019 lipidmapsM:LMPK12060019	(-)-cis-Deguelin
seed.compound:cpd07306 seedM:cpd07306	Deguelin (-)-cis-deguelin 3H-[1]Benzopyrano[3,4-b]pyrano[2,3-h][1]benzopyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS,13aS)- deguelin
metacyc.compound:CPD-12163 metacycM:CPD-12163	deguelin (-)-cis-deguelin 3H-[1]Benzopyrano[3,4-b]pyrano[2,3-h][1]benzopyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS,13aS)-
keggC:M_C10417 seedM:M_cpd07306	secondary/obsolete/fantasy identifier