Summary

IMPPAT Phytochemical identifier: IMPHY014286

Phytochemical name: alpha-Corymbolol

Synonymous chemical names:
alpha-corymbolol

External chemical identifiers:
CID:14019097, ZINC:ZINC000238734034

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Chemical structure information

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

InChI:
InChI=1S/C15H26O2/c1-10(2)12-7-8-14(4)13(16)6-5-11(3)15(14,17)9-12/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15+/m0/s1

InChIKey:
VKWOWUKOWUJMKB-AIEDFZFUSA-N

DeepSMILES:
CC=C)[C@@H]CC[C@@][C@]C6)O)[C@@H]C)CC[C@@H]6O))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

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: 2.922

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Chemical structure download