Summary

IMPPAT Phytochemical identifier: IMPHY004409

Phytochemical name: 6',6',10,10-Tetramethylspiro[6-oxatricyclo[7.1.1.02,7]undec-2(7)-ene-5,2'-bicyclo[3.1.1]heptane]-3'-one

Synonymous chemical names:
aritasone

External chemical identifiers:
CID:5320137

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Chemical structure information

SMILES:
O=C1CC2CC(C31CCC1=C(O3)CC3CC1C3(C)C)C2(C)C

InChI:
InChI=1S/C20H28O2/c1-18(2)11-7-14(18)13-5-6-20(22-15(13)8-11)16-9-12(10-17(20)21)19(16,3)4/h11-12,14,16H,5-10H2,1-4H3

InChIKey:
YZHBEINUZQDPPT-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCC6CCC=CO6)CCCC6C4C)C)))))))))))C4C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CC(C2)C12CCC1=C(CC3CC1C3)O2

Scaffold Graph/Node level:
OC1CC2CC(C2)C12CCC1C3CC(C3)CC1O2

Scaffold Graph level:
CC1CC2CC(C2)C12CCC1C3CC(C3)CC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Pinane monoterpenoids

NP-Likeness score: 2.433

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Chemical structure download