Summary

IMPPAT Phytochemical identifier: IMPHY015931

Phytochemical name: 4,7(11)-Selinadiene

Synonymous chemical names:
selin-4,7(11)-diene

External chemical identifiers:
CID:23425324, ZINC:ZINC000085756788, SureChEMBL:SCHEMBL20838506

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Chemical structure information

SMILES:
CC1=C2CC(=C(C)C)CC[C@]2(CCC1)C

InChI:
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-10H2,1-4H3/t15-/m1/s1

InChIKey:
CRIKCAXISSWYRQ-OAHLLOKOSA-N

DeepSMILES:
CC=CCC=CC)C))CC[C@]6CCC%10)))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCC=C2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: 2.283

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Chemical structure download