Summary

IMPPAT Phytochemical identifier: IMPHY000571

Phytochemical name: Santene

Synonymous chemical names:
santene

External chemical identifiers:
CID:10720, SureChEMBL:SCHEMBL483325

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Chemical structure information

SMILES:
CC1=C(C)C2CC1CC2

InChI:
InChI=1S/C9H14/c1-6-7(2)9-4-3-8(6)5-9/h8-9H,3-5H2,1-2H3

InChIKey:
LSIXBBPOJBJQHN-UHFFFAOYSA-N

DeepSMILES:
CC=CC)CCC5CC5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC1C2

Scaffold Graph/Node level:
C1CC2CCC1C2

Scaffold Graph level:
C1CC2CCC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 0.924

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Chemical structure download