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Secondary metabolite: Enokipodin I
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C15H20O4
SMILES:
O=C1C[C@](C)(O)C(=O)C=C1[C@]1(C)CCC(=O)C1(C)C
InChI:
InChI=1S/C15H20O4/c1-13(2)11(17)5-6-14(13,3)9-7-12(18)15(4,19)8-10(9)16/h7,19H,5-6,8H2,1-4H3/t14-,15-/m0/s1
InChIKey:
NQMWMLKBLQXTIN-GJZGRUSLSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1C=C(C2CCC(=O)C2)C(=O)CC1
Scaffold Graph/Node level:
OC1CCC(C2CC(O)CCC2O)C1
Scaffold Graph level:
CC1CCC(C2CC(C)CCC2C)C1
Chemical classification
Kingdom:
Organic compounds
Super class:
Lipids and lipid-like molecules
Class:
Prenol lipids
Sub class:
Sesquiterpenoids
Synonymous chemical names:
enokipodin i
External chemical identifiers:
CID_101560072
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
TOP
Designed by
R.P. Vivek-Ananth
, M Karthikeyan and Ajaya Kumar Sahoo