Summary

IMPPAT Phytochemical identifier: IMPHY017557

Phytochemical name: 2H-Cyclopropa[g]benzofuran, 4,5,5a,6,6a,6b-hexahydro-4,4,6b-trimethyl-2-(1-methylethenyl)-

Synonymous chemical names:
2-isopropenyl-4,4,6b-trimethyl-4,5,5a,6,6a,6b-hexahydro-2h-cyclopropa[g][1]benzofuran

External chemical identifiers:
CID:608879

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Chemical structure information

SMILES:
CC(=C)C1C=C2C(O1)(C)C1CC1CC2(C)C

InChI:
InChI=1S/C15H22O/c1-9(2)12-7-13-14(3,4)8-10-6-11(10)15(13,5)16-12/h7,10-12H,1,6,8H2,2-5H3

InChIKey:
SJTHETFPSIDLEK-UHFFFAOYSA-N

DeepSMILES:
CC=C)CC=CCO5)C)CCC3CC7C)C

Functional groups:
C=C(C)C, CC=C(C)C, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCC3CC3C2OC1

Scaffold Graph/Node level:
C1CC2CCC3CC3C2O1

Scaffold Graph level:
C1CC2CCC3CC3C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cycloeudesmane sesquiterpenoids

NP-Likeness score: 2.269

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Chemical structure download