Summary

IMPPAT Phytochemical identifier: IMPHY011542

Phytochemical name: beta-Eudesmol

Synonymous chemical names:
b-eudesmol, beta cudesmol, beta eudesmol, beta-eudesmol, eudesm-4(14)-en-11-ol, eudesmol, beta, eudesmol, beta-, eudesmol,β-, pterocarpodiolone-beta-eudesmol, §-eudesmol, β- eudesmol, β-eudesmoi, β-eudesmol, β-eudesmol*

External chemical identifiers:
CID:91457, ChEMBL:CHEMBL88244, ChEBI:10417, ZINC:ZINC000004098262, FDASRS:6R61524P48, SureChEMBL:SCHEMBL310604, MolPort-003-927-230

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Chemical structure information

SMILES:
C=C1CCC[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/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,15-/m1/s1

InChIKey:
BOPIMTNSYWYZOC-VNHYZAJKSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCCCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: 2.801

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Chemical structure download