Summary

SMILES: COC(=O)C[C@@H]1[C@](C)(C=CC(=O)C1(C)C)C1CC[C@@]2(C(=CC(=O)O[C@H]2c2cocc2)C1=C)C
InChI: InChI=1S/C27H32O6/c1-16-18(26(4)11-8-21(28)25(2,3)20(26)14-22(29)31-6)7-10-27(5)19(16)13-23(30)33-24(27)17-9-12-32-15-17/h8-9,11-13,15,18,20,24H,1,7,10,14H2,2-6H3/t18?,20-,24-,26+,27+/m0/s1
InChIKey: CUJHOPQCBJBWQL-GJGRSQDYSA-N
DeepSMILES: COC=O)C[C@@H][C@]C)C=CC=O)C6C)C)))))CCC[C@@]C=CC=O)O[C@H]6ccocc5)))))))))C6=C)))C
Scaffold Graph/Node/Bond level: C=C1C2=CC(=O)OC(c3ccoc3)C2CCC1C1C=CC(=O)CC1
Scaffold Graph/Node level: CC1C(C2CCC(O)CC2)CCC2C1CC(O)OC2C1CCOC1
Scaffold Graph level: CC1CCC(C2CCC3C(C4CCCC4)CC(C)CC3C2C)CC1
Functional groups: C=C(C)C1=CC(=O)OCC1; CC(=O)C=CC; COC(C)=O; coc

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compounds
ClassyFire Class: Pyrans
ClassyFire Subclass: Pyranones and derivatives
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Triterpenoids
NP Classifier Class: Limonoids

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Synonymous chemical names:
deoxyandirobin

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External chemical identifiers:
CID:6708516; ChEMBL:CHEMBL3039353; ChEBI:93790

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Chemical structure download