Summary

IMPPAT Phytochemical identifier: IMPHY002629

Phytochemical name: Isocyperol

Synonymous chemical names:
isocyperol

External chemical identifiers:
CID:14076604, ChEBI:80836, ZINC:ZINC000015207084

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Chemical structure information

SMILES:
CC(=C)[C@@H]1CC[C@@]2([C@@H](C1)C(=C)[C@@H](CC2)O)C

InChI:
InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12-14,16H,1,3,5-9H2,2,4H3/t12-,13+,14-,15+/m1/s1

InChIKey:
CZFHAODYOVXPIQ-BARDWOONSA-N

DeepSMILES:
CC=C)[C@@H]CC[C@@][C@@H]C6)C=C)[C@@H]CC6))O))))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: 3.347

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Chemical structure download