Summary

IMPPAT Phytochemical identifier: IMPHY015540

Phytochemical name: 1,5-dihydroxy-2,2,5,7-tetramethylspiro[1H-indene-6,1'-cyclopropane]-4-one

Synonymous chemical names:
c15h24o3

External chemical identifiers:
CID:101108

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Chemical structure information

SMILES:
OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3

InChI:
InChI=1S/C15H20O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,12,17-18H,5-6H2,1-4H3

InChIKey:
QVMDIQLUNODCTG-UHFFFAOYSA-N

DeepSMILES:
OCC=CC)CCC=O)C6=CC9C)C)))))C)O))CC3

Functional groups:
CC1=C2CCC=C2C(=O)CC1, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2(C=C3CCC=C13)CC2

Scaffold Graph/Node level:
OC1CC2(CC2)CC2CCCC12

Scaffold Graph level:
CC1CC2(CC2)CC2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Illudane sesquiterpenoids

NP-Likeness score: 2.482

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Chemical structure download