Summary

IMPPAT Phytochemical identifier: IMPHY009396

Phytochemical name: Futronolide

Synonymous chemical names:
furtonolide, futronolide

External chemical identifiers:
CID:12309998, ChEMBL:CHEMBL511167, ZINC:ZINC000014449498

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Chemical structure information

SMILES:
O=C1OCC2=C1[C@@]1(C)CCCC([C@@H]1C[C@H]2O)(C)C

InChI:
InChI=1S/C15H22O3/c1-14(2)5-4-6-15(3)11(14)7-10(16)9-8-18-13(17)12(9)15/h10-11,16H,4-8H2,1-3H3/t10-,11+,15+/m1/s1

InChIKey:
XELPMDBBGYBGEI-ZETOZRRWSA-N

DeepSMILES:
O=COCC=C5[C@@]C)CCCC[C@@H]6C[C@H]%10O))))C)C

Functional groups:
CC1=C(C)COC1=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC2=C1C1CCCCC1CC2

Scaffold Graph/Node level:
OC1OCC2CCC3CCCCC3C21

Scaffold Graph level:
CC1CCC2CCC3CCCCC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Drimane sesquiterpenoids

NP-Likeness score: 3.183

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Chemical structure download