Summary
IMPPAT Phytochemical identifier: IMPHY006225
Phytochemical name: Glabrachromene II
Synonymous chemical names:glabrachrome-ii, glabrachromene ii
External chemical identifiers:CID:6442711, ChEMBL:CHEMBL3581071, ZINC:ZINC000005762062
Chemical structure information
SMILES:
O=C(c1ccc2c(c1O)C=CC(O2)(C)C)/C=C/c1ccc2c(c1)OCO2InChI:
InChI=1S/C21H18O5/c1-21(2)10-9-15-17(26-21)8-5-14(20(15)23)16(22)6-3-13-4-7-18-19(11-13)25-12-24-18/h3-11,23H,12H2,1-2H3/b6-3+InChIKey:
WKEIAFLNVZWDKU-ZZXKWVIFSA-NDeepSMILES:
O=Ccccccc6O))C=CCO6)C)C)))))))))/C=C/cccccc6)OCO5Functional groups:
c/C=C/C(c)=O, c1cOCO1, cC=CC, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccc2c(c1)OCO2)c1ccc2c(c1)C=CCO2Scaffold Graph/Node level:
OC(CCC1CCC2OCOC2C1)C1CCC2OCCCC2C1Scaffold Graph level:
CC(CCC1CCC2CCCC2C1)C1CCC2CCCCC2C1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Linear 1,3-diarylpropanoids
ClassyFire Subclass: Chalcones and dihydrochalcones
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Chalcones
NP-Likeness score: 1.586
Chemical structure download
