Summary

IMPPAT Phytochemical identifier: IMPHY005978

Phytochemical name: Spiroxabovolide

Synonymous chemical names:
spiroxabovolide

External chemical identifiers:
CID:53755061, SureChEMBL:SCHEMBL11884402

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Chemical structure information

SMILES:
CC1CCCC2(O1)OC(=O)C(=C2C)C

InChI:
InChI=1S/C11H16O3/c1-7-5-4-6-11(13-7)9(3)8(2)10(12)14-11/h7H,4-6H2,1-3H3

InChIKey:
DDVFHERXRGWVAP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCO6)OC=O)C=C5C))C

Functional groups:
COC1(C)OC(=O)C(C)=C1C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2(CCCCO2)O1

Scaffold Graph/Node level:
OC1CCC2(CCCCO2)O1

Scaffold Graph level:
CC1CCC2(CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP-Likeness score: 2.03

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Chemical structure download