Summary

IMPPAT Phytochemical identifier: IMPHY016846

Phytochemical name: Selina-1,4-diene

Synonymous chemical names:
selina-1,4-diene

External chemical identifiers:
CID:91746870

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Chemical structure information

SMILES:
CC([C@H]1CC[C@@]2(C(=C(C)CC=C2)C1)C)C

InChI:
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5,8,11,13H,6-7,9-10H2,1-4H3/t13-,15+/m0/s1

InChIKey:
HHBPTXYTVCTYMU-DZGCQCFKSA-N

DeepSMILES:
CC[C@H]CC[C@@]C=CC)CC=C6))))C6))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2=CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: 2.192

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Chemical structure download