Summary

IMPPAT Phytochemical identifier: IMPHY009208

Phytochemical name: Protogenkwanin

Synonymous chemical names:
protogenkwanin

External chemical identifiers:
CID:101654191

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(C=C1)O

InChI:
InChI=1S/C16H14O6/c1-21-10-6-11(18)15-12(19)8-14(22-13(15)7-10)16(20)4-2-9(17)3-5-16/h2-9,17-18,20H,1H3

InChIKey:
QGWPJKZWGKFVHY-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)occc6=O)))CO)C=CCC=C6))O

Functional groups:
CC=CC, CO, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(C2C=CCC=C2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 2.094

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Chemical structure download