Summary

IMPPAT Phytochemical identifier: IMPHY016958

Phytochemical name: 1,4-Methanoazulen-7(1H)-one, octahydro-1,5,5,8a-tetramethyl-

Synonymous chemical names:
1,4-methanoazulen-7(1h)-one,octahydro-1,5,5,8a-tetramethyl-

External chemical identifiers:
CID:106658, SureChEMBL:SCHEMBL6568318

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Chemical structure information

SMILES:
O=C1CC(C)(C)C2C3C(C1)(C)C(C2)(C)CC3

InChI:
InChI=1S/C15H24O/c1-13(2)7-10(16)8-15(4)11-5-6-14(15,3)9-12(11)13/h11-12H,5-9H2,1-4H3

InChIKey:
BMLTXHGGEJNZIS-UHFFFAOYSA-N

DeepSMILES:
O=CCCC)C)CCCC7)C)CC5)C)CC5

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2CC3CCC2C3C1

Scaffold Graph/Node level:
OC1CCC2CC3CCC2C3C1

Scaffold Graph level:
CC1CCC2CC3CCC2C3C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Aristolane sesquiterpenoids

NP-Likeness score: 2.583

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Chemical structure download