Summary

IMPPAT Phytochemical identifier: IMPHY016606

Phytochemical name: Cyprotene

Synonymous chemical names:
cyprotene

External chemical identifiers:
CID:91715050, ZINC:ZINC000086049036

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Chemical structure information

SMILES:
C/C=C/1C[C@@H]2C([C@@]1(C)[C@H](C)CC2)(C)C

InChI:
InChI=1S/C14H24/c1-6-11-9-12-8-7-10(2)14(11,5)13(12,3)4/h6,10,12H,7-9H2,1-5H3/b11-6+/t10-,12-,14+/m1/s1

InChIKey:
FMOZOFOCONBPNY-RAYWUTBOSA-N

DeepSMILES:
C/C=CC[C@@H]C[C@@]5C)[C@H]C)CC6))))C)C

Functional groups:
C/C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCCC1C2

Scaffold Graph/Node level:
CC1CC2CCCC1C2

Scaffold Graph level:
CC1CC2CCCC1C2

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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-Likeness score: 2.605

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Chemical structure download