Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000747

Phytochemical name: (-)-Epicedrol

Synonymous chemical names:
isocedranol, cedrol (epi), (-)-Epicedrol, 8-epi-cedrol, epi-cedrol

External chemical identifiers:
CID:CID_6713078, ChEBI:CHEBI:52226, ZINC:ZINC000034173127, SureChEMBL:SCHEMBL6510353

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Chemical structure information

SMILES:
C[C@@H]1CC[C@@H]2[C@@]31CC[C@]([C@H](C3)C2(C)C)(C)O

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

InChIKey:
SVURIXNDRWRAFU-MIBAYGRRSA-N

DeepSMILES:
C[C@@H]CC[C@@H][C@]5CC[C@][C@H]C6)C7C)C)))C)O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3CCCC3(C1)C2

Scaffold Graph/Node level:
C1CC2CC3CCCC3(C1)C2

Scaffold Graph level:
C1CC2CC3CCCC3(C1)C2

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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: Cedrane and Isocedrane sesquiterpenoids

NP-Likeness score: 2.976

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Chemical structure download