Summary

IMPPAT Phytochemical identifier: IMPHY017934

Phytochemical name: Nor-ketoagarofuran

Synonymous chemical names:
nor-ketoagarofuran

Chemical structure information

SMILES:
O=C1CCCC2([C@@]31C[C@H](C(O3)(C)C)CC2)C

InChI:
InChI=1S/C14H22O2/c1-12(2)10-6-8-13(3)7-4-5-11(15)14(13,9-10)16-12/h10H,4-9H2,1-3H3/t10-,13?,14+/m1/s1

InChIKey:
GZGANJGCMJYOEK-QQMGMQKYSA-N

DeepSMILES:
O=CCCCC[C@]6C[C@H]CO5)C)C))CC6)))))C

Functional groups:
CC(C)=O, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2CCC3COC12C3

Scaffold Graph/Node level:
OC1CCCC2CCC3COC12C3

Scaffold Graph level:
CC1CCCC2CCC3CCC12C3

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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: Agarofuran sesquiterpenoids

NP-Likeness score: 3.02

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Chemical structure download