Summary

IMPPAT Phytochemical identifier: IMPHY017328

Phytochemical name: 8a-Methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalene

Synonymous chemical names:
selina-4(15,7)-diene

External chemical identifiers:
CID:524199

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Chemical structure information

SMILES:
C=C1CCCC2(C1CC(=CC2)C(C)C)C

InChI:
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h7,11,14H,3,5-6,8-10H2,1-2,4H3

InChIKey:
SBWAKCMRTBHWSI-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6CC=CC6))CC)C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CC=CCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.075

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Chemical structure download