Summary

IMPPAT Phytochemical identifier: IMPHY001429

Phytochemical name: Garbogiol

Synonymous chemical names:
garbogiol

External chemical identifiers:
CID:15382978, ChEBI:174396

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Chemical structure information

SMILES:
CC1Oc2c(C1(C)C)c1oc3c(O)ccc(c3c(=O)c1c(c2)O)O

InChI:
InChI=1S/C18H16O6/c1-7-18(2,3)14-11(23-7)6-10(21)13-15(22)12-8(19)4-5-9(20)16(12)24-17(13)14/h4-7,19-21H,1-3H3

InChIKey:
KIUHCQDWGHJIMP-UHFFFAOYSA-N

DeepSMILES:
CCOccC5C)C))coccO)cccc6c=O)c%10cc%14)O)))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2oc2c3c(ccc12)OCC3

Scaffold Graph/Node level:
OC1C2CCCCC2OC2C3CCOC3CCC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCC3CCC12

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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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Xanthones

NP Classifier Class: Plant xanthones

NP-Likeness score: 2.45

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Chemical structure download