Summary

IMPPAT Phytochemical identifier: IMPHY003424

Phytochemical name: Ishwarol

Synonymous chemical names:
ishwarol

External chemical identifiers:
CID:42608203

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Chemical structure information

SMILES:
C[C@@H]1CCC(C23[C@@]1(C)CC1C(C2)C1(C3)C)O

InChI:
InChI=1S/C15H24O/c1-9-4-5-12(16)15-7-11-10(6-14(9,15)3)13(11,2)8-15/h9-12,16H,4-8H2,1-3H3/t9-,10?,11?,12?,13?,14+,15?/m1/s1

InChIKey:
VMCKVEZJNIGBQQ-DTZPQEEQSA-N

DeepSMILES:
C[C@@H]CCCC[C@@]6C)CCCC6)C3C7)C)))))))O

Functional groups:
CO

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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: 3.027

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Chemical structure download