Summary

IMPPAT Phytochemical identifier: IMPHY008489

Phytochemical name: Furomammea G

Synonymous chemical names:
furomammea g

External chemical identifiers:
CID:90472431, ChEBI:175942

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Chemical structure information

SMILES:
CCCc1cc(=O)oc2c1c(O)c(C(=O)CC(C)C)c1c2CC(O1)C(O)(C)C

InChI:
InChI=1S/C22H28O6/c1-6-7-12-9-16(24)28-20-13-10-15(22(4,5)26)27-21(13)18(19(25)17(12)20)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3

InChIKey:
KYKWIMFWAYVDJI-UHFFFAOYSA-N

DeepSMILES:
CCCccc=O)occ6cO)cC=O)CCC)C))))cc6CCO5)CO)C)C

Functional groups:
CO, c=O, cC(C)=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccc3c(c2o1)CCO3

Scaffold Graph/Node level:
OC1CCC2CCC3OCCC3C2O1

Scaffold Graph level:
CC1CCC2CCC3CCCC3C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

ClassyFire Subclass: Furanocoumarins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Furocoumarins, Simple coumarins

NP-Likeness score: 1.985

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Chemical structure download