Summary

IMPPAT Phytochemical identifier: IMPHY017888

Phytochemical name: Sinenofuranol

Synonymous chemical names:
sinenofuranol

External chemical identifiers:
CID:91753767

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Chemical structure information

SMILES:
OC[C@@H]1CCC2[C@]31C[C@@H](C(O3)(C)C)CCC2

InChI:
InChI=1S/C14H24O2/c1-13(2)11-5-3-4-10-6-7-12(9-15)14(10,8-11)16-13/h10-12,15H,3-9H2,1-2H3/t10?,11-,12-,14-/m0/s1

InChIKey:
YNRKDVOAXYELOW-WBGPXRNDSA-N

DeepSMILES:
OC[C@@H]CCC[C@@]5C[C@@H]CO5)C)C))CCC7

Functional groups:
CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2COC3(CCCC3C1)C2

Scaffold Graph/Node level:
C1CC2COC3(CCCC3C1)C2

Scaffold Graph level:
C1CC2CCC3(CCCC3C1)C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxolanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Agarofuran sesquiterpenoids

NP-Likeness score: 2.952

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Chemical structure download