Summary

IMPPAT Phytochemical identifier: IMPHY002798

Phytochemical name: (+)-Khusitene

Synonymous chemical names:
(+)-khusitene

External chemical identifiers:
CID:101316798, ZINC:ZINC000238757224

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Chemical structure information

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

InChI:
InChI=1S/C14H22/c1-4-12-7-6-11(3)13-8-5-10(2)9-14(12)13/h9,12-14H,3-8H2,1-2H3/t12-,13+,14+/m1/s1

InChIKey:
DYVLMSXPGKNIKC-RDBSUJKOSA-N

DeepSMILES:
CC[C@@H]CCC=C)[C@H][C@H]6C=CC)CC6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2C=CCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 2.802

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Chemical structure download