Summary
IMPPAT Phytochemical identifier: IMPHY000382
Phytochemical name: 1,3-Dihydroxy-6,7-dimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone
Synonymous chemical names:1,3-dihydroxy-2-(2-hydroxy-3-methylbut-3-enyl)-6,7-dimethoxy-8-(3-methylbut-2-enyl)-xanthone
External chemical identifiers:CID:101193829
Chemical structure information
SMILES:
COc1cc2oc3cc(O)c(c(c3c(=O)c2c(c1OC)CC=C(C)C)O)CC(C(=C)C)OInChI:
InChI=1S/C25H28O7/c1-12(2)7-8-14-21-19(11-20(30-5)25(14)31-6)32-18-10-17(27)15(9-16(26)13(3)4)23(28)22(18)24(21)29/h7,10-11,16,26-28H,3,8-9H2,1-2,4-6H3InChIKey:
WLIFKNBFUXEMLY-UHFFFAOYSA-NDeepSMILES:
COcccocccO)ccc6c=O)c%10cc%14OC)))CC=CC)C))))))))O))CCC=C)C))OFunctional groups:
C=C(C)C, CC=C(C)C, CO, c=O, cO, cOC, coc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2ccccc12Scaffold Graph/Node level:
OC1C2CCCCC2OC2CCCCC21Scaffold Graph level:
CC1C2CCCCC2CC2CCCCC21
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Benzopyrans
ClassyFire Subclass: 1-benzopyrans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Xanthones
NP Classifier Class: Plant xanthones
NP-Likeness score: 2.384
Chemical structure download