Summary

IMPPAT Phytochemical identifier: IMPHY009850

Phytochemical name: Junicedranol

Synonymous chemical names:
junicedranol

External chemical identifiers:
CID:91753598

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Chemical structure information

SMILES:
O[C@@H]1C[C@]23[C@@](C1(C)CC2)(C)CCCC3(C)C

InChI:
InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)13(3)8-9-15(12,14)10-11(13)16/h11,16H,5-10H2,1-4H3/t11-,13?,14+,15-/m1/s1

InChIKey:
LKUBLENFVRHTGX-HYIGYNPQSA-N

DeepSMILES:
O[C@@H]C[C@][C@@]C5C)CC5)))C)CCCC6C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC23CCC(CC2)C3C1

Scaffold Graph/Node level:
C1CCC23CCC(CC2)C3C1

Scaffold Graph level:
C1CCC23CCC(CC2)C3C1

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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: Thujopsane sesquiterpenoids

NP-Likeness score: 2.46

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Chemical structure download