Summary

IMPPAT Phytochemical identifier: IMPHY014986

Phytochemical name: Ledol

Synonymous chemical names:
ledol, ledol*

External chemical identifiers:
CID:92812, ChEMBL:CHEMBL4525000, ChEBI:6401, SureChEMBL:SCHEMBL2196676

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Chemical structure information

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

InChI:
InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15-/m1/s1

InChIKey:
AYXPYQRXGNDJFU-AOWZIMASSA-N

DeepSMILES:
C[C@@H]CC[C@H][C@@H]5[C@H][C@H]C3C)C))CC[C@@]7C)O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCCC2C2CC2C1

Scaffold Graph/Node level:
C1CC2CCCC2C2CC2C1

Scaffold Graph level:
C1CC2CCCC2C2CC2C1

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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: Aromadendrane sesquiterpenoids

NP-Likeness score: 3.125

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Chemical structure download