Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000439

Phytochemical name: alpha-Eudesmol

Synonymous chemical names:
eudesmol, alpha, alpha-Eudesmol, alpha-eudesmol, Eudesmol,α-, α-eudesmol

External chemical identifiers:
CID:CID_92762, ChEMBL:CHEMBL3120654, ChEBI:CHEBI:10278, FDASRS:SZ9QGL7BOX, SureChEMBL:SCHEMBL1251075

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Chemical structure information

SMILES:
CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(O)(C)C)C

InChI:
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13+,15-/m1/s1

InChIKey:
FCSRUSQUAVXUKK-VNHYZAJKSA-N

DeepSMILES:
CC=CCC[C@][C@H]6C[C@@H]CC6))CO)C)C)))))C

Functional groups:
CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.041

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Chemical structure download