Summary

IMPPAT Phytochemical identifier: IMPHY015704

Phytochemical name: Gleenol

Synonymous chemical names:
gleenol

External chemical identifiers:
CID:6429080, ZINC:ZINC000033951407

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Chemical structure information

SMILES:
CC1=C[C@]2(CC1)[C@H](C)CC[C@H]([C@H]2O)C(C)C

InChI:
InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(14(13)16)8-7-11(3)9-15/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13+,14-,15-/m1/s1

InChIKey:
MYLXGCVCCZCOHU-LXTVHRRPSA-N

DeepSMILES:
CC=C[C@]CC5))[C@H]C)CC[C@H][C@H]6O))CC)C

Functional groups:
CC(C)=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2(CC1)CCCCC2

Scaffold Graph/Node level:
C1CCC2(CC1)CCCC2

Scaffold Graph level:
C1CCC2(CC1)CCCC2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Acorane sesquiterpenoids

NP-Likeness score: 2.473

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Chemical structure download