Summary

IMPPAT Phytochemical identifier: IMPHY016885

Phytochemical name: 1H-Cyclopropa[a]naphthalene, 1a,2,3,3a,4,5,7a,7b-octahydro-1,1,3a,7-tetramethyl-

Synonymous chemical names:
α-maaliene

External chemical identifiers:
CID:12312615

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Chemical structure information

SMILES:
CC1=CCCC2(C1C1C(C1(C)C)CC2)C

InChI:
InChI=1S/C15H24/c1-10-6-5-8-15(4)9-7-11-13(12(10)15)14(11,2)3/h6,11-13H,5,7-9H2,1-4H3

InChIKey:
OULROVQTHHSDPX-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6CCC3C)C))CC6)))))C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C(CC1)CCC1CC12

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CC12

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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: Aromadendrane sesquiterpenoids, Cycloeudesmane sesquiterpenoids

NP-Likeness score: 3.144

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Chemical structure download