Summary

IMPPAT Phytochemical identifier: IMPHY010015

Phytochemical name: epi-Longipinanol

Synonymous chemical names:
epi-longipinanol

External chemical identifiers:
CID:91746617

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Chemical structure information

SMILES:
C[C@H]1C2CC[C@]([C@H]3C1CCC(C23)(C)C)(C)O

InChI:
InChI=1S/C15H26O/c1-9-10-6-8-15(4,16)13-11(9)5-7-14(2,3)12(10)13/h9-13,16H,5-8H2,1-4H3/t9-,10?,11?,12?,13-,15-/m0/s1

InChIKey:
WHIUDXGNUHDGLA-AYMWDHPDSA-N

DeepSMILES:
C[C@H]CCC[C@][C@H]C7CCCC%106)C)C))))))C)O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3CCCC2C3C1

Scaffold Graph/Node level:
C1CC2CC3CCCC2C3C1

Scaffold Graph level:
C1CC2CC3CCCC2C3C1

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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: Aromadendrane sesquiterpenoids

NP-Likeness score: 1.994

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Chemical structure download