Summary

IMPPAT Phytochemical identifier: IMPHY009831

Phytochemical name: Laciniatafuranone H

Synonymous chemical names:
laciniatafuranone h

External chemical identifiers:
CID:102505325

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Chemical structure information

SMILES:
C=C[C@]1(C)CC[C@H](O1)[C@@]1(C)O[C@@H](CC1=O)C(=C)C

InChI:
InChI=1S/C15H22O3/c1-6-14(4)8-7-13(18-14)15(5)12(16)9-11(17-15)10(2)3/h6,11,13H,1-2,7-9H2,3-5H3/t11-,13-,14+,15-/m0/s1

InChIKey:
LQWFUFMRXNEVLA-MHEUCROKSA-N

DeepSMILES:
C=C[C@]C)CC[C@H]O5)[C@@]C)O[C@@H]CC5=O)))C=C)C

Functional groups:
C=C(C)C, C=CC, CC(C)=O, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCOC1C1CCCO1

Scaffold Graph/Node level:
OC1CCOC1C1CCCO1

Scaffold Graph level:
CC1CCCC1C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 2.674

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Chemical structure download