Summary

IMPPAT Phytochemical identifier: IMPHY017870

Phytochemical name: Sesquithuriferol

Synonymous chemical names:
sesquithuriferol

External chemical identifiers:
CID:91750097

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Chemical structure information

SMILES:
O[C@@H]1[C@@]2(C)CC[C@]3(C2)C(C1(C)C)CC[C@H]3C

InChI:
InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12(16)14(4)7-8-15(10,11)9-14/h10-12,16H,5-9H2,1-4H3/t10-,11?,12+,14+,15-/m1/s1

InChIKey:
UQKRCCOELQIGCU-GMRBNDCZSA-N

DeepSMILES:
O[C@@H][C@@]C)CC[C@]C5)CC7C)C))CC[C@H]5C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC3CCC2(C1)C3

Scaffold Graph/Node level:
C1CC2CCC3CCC2(C1)C3

Scaffold Graph level:
C1CC2CCC3CCC2(C1)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Clovane sesquiterpenoids, Prezizaane sesquiterpenoids

NP-Likeness score: 2.852

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Chemical structure download