Summary

IMPPAT Phytochemical identifier: IMPHY009979

Phytochemical name: 5-Geranyloxy-7-methoxycoumarin

Synonymous chemical names:
5-geranyloxy-7-methoxy coumarin

External chemical identifiers:
CID:6441377, ChEMBL:CHEMBL4176013, ChEBI:174428, ZINC:ZINC000002558139, SureChEMBL:SCHEMBL1714204

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Chemical structure information

SMILES:
COc1cc(OC/C=C(/CCC=C(C)C)C)c2c(c1)oc(=O)cc2

InChI:
InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-18-12-16(22-4)13-19-17(18)8-9-20(21)24-19/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+

InChIKey:
WXUOSNJWDJOHGW-XNTDXEJSSA-N

DeepSMILES:
COcccOC/C=C/CCC=CC)C)))))C)))))ccc6)oc=O)cc6

Functional groups:
C/C=C(/C)C, CC=C(C)C, c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2o1

Scaffold Graph/Node level:
OC1CCC2CCCCC2O1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: 1.407

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Chemical structure download