Summary

IMPPAT Phytochemical identifier: IMPHY013284

Phytochemical name: Aeginetolide

Synonymous chemical names:
aeginetolide

External chemical identifiers:
CID:15948056

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Chemical structure information

SMILES:
O=C1O[C@]2([C@](C1)(O)C(C)(C)CCC2)C

InChI:
InChI=1S/C11H18O3/c1-9(2)5-4-6-10(3)11(9,13)7-8(12)14-10/h13H,4-7H2,1-3H3/t10-,11-/m1/s1

InChIKey:
TWGFYQIUSFIVDO-GHMZBOCLSA-N

DeepSMILES:
O=CO[C@][C@]C5)O)CC)C)CCC6)))))C

Functional groups:
CC(=O)OC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2O1

Scaffold Graph/Node level:
OC1CC2CCCCC2O1

Scaffold Graph level:
CC1CC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 2.866

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Chemical structure download