Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018259

Phytochemical name: decahydro-1,1,7-trimethylspiro[4H-cycloprop[e]azulene-4,2'-oxirane]

Synonymous chemical names:
decahydro-1,1,7-trimethylspiro[4H-cycloprop[e]azulene-4,2'-oxirane]

External chemical identifiers:
CID:CID_528759

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Chemical structure information

SMILES:
CC1CCC2C1C1C(C1(C)C)CCC12OC1

InChI:
InChI=1S/C15H24O/c1-9-4-5-10-12(9)13-11(14(13,2)3)6-7-15(10)8-16-15/h9-13H,4-8H2,1-3H3

InChIKey:
XPGWKKLDFXNBPJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5CCC3C)C))CCC7OC3

Functional groups:
CC1(C)CO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2C3CC3CCC3(CO3)C2C1

Scaffold Graph/Node level:
C1CC2C3CC3CCC3(CO3)C2C1

Scaffold Graph level:
C1CC2C3CC3CCC3(CC3)C2C1

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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

NP-Likeness score: 3.032

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Chemical structure download