Summary

IMPPAT Phytochemical identifier: IMPHY000067

Phytochemical name: Valdiviolide

Synonymous chemical names:
valdiviolide

External chemical identifiers:
CID:10966925, ZINC:ZINC000034582889

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Chemical structure information

SMILES:
O[C@@H]1OC(=O)C2=C1[C@@]1(C)CCCC([C@@H]1CC2)(C)C

InChI:
InChI=1S/C15H22O3/c1-14(2)7-4-8-15(3)10(14)6-5-9-11(15)13(17)18-12(9)16/h10,13,17H,4-8H2,1-3H3/t10-,13+,15-/m0/s1

InChIKey:
XTQKCVAXPOCYKT-ZBINZKHDSA-N

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

Functional groups:
CC1=C(C)[C@H](O)OC1=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCC2=C1CCC1CCCCC21

Scaffold Graph/Node level:
OC1OCC2C3CCCCC3CCC12

Scaffold Graph level:
CC1CCC2C1CCC1CCCCC12

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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, Diterpenoids

NP Classifier Class: Drimane sesquiterpenoids, Spongiane diterpenoids

NP-Likeness score: 3.361

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Chemical structure download