Summary

IMPPAT Phytochemical identifier: IMPHY017872

Phytochemical name: Selina-4(15),5-diene

Synonymous chemical names:
selina-4(15),5-diene

External chemical identifiers:
CID:91750163

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Chemical structure information

SMILES:
CC(C1CC[C@@]2(C(=C1)C(=C)CCC2)C)C

InChI:
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h10-11,13H,3,5-9H2,1-2,4H3/t13?,15-/m1/s1

InChIKey:
MBANDXQCQFFUAJ-AWKYBWMHSA-N

DeepSMILES:
CCCCC[C@@]C=C6)C=C)CCC6)))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCC=C12

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: 2.754

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Chemical structure download