Summary

IMPPAT Phytochemical identifier: IMPHY002551

Phytochemical name: Ishwarane

Synonymous chemical names:
ishwarane, lshwarane

External chemical identifiers:
CID:14619932

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Chemical structure information

SMILES:
CC1CCCC23C1(C)CC1C(C2)C1(C3)C

InChI:
InChI=1S/C15H24/c1-10-5-4-6-15-8-12-11(7-14(10,15)3)13(12,2)9-15/h10-12H,4-9H2,1-3H3

InChIKey:
XGEWXQPYPMTSBD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6C)CCCC6)C3C7)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC23CC4C(CC2C1)C4C3

Scaffold Graph/Node level:
C1CCC23CC4C(CC2C1)C4C3

Scaffold Graph level:
C1CCC23CC4C(CC2C1)C4C3

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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: Ishwarane sesquiterpenoids

NP-Likeness score: 2.926

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Chemical structure download