MeFSAT
Me
dicinal
F
ungi
S
econdary metabolites
A
nd
T
herapeutics
Home
Basic search
Advanced search
Statistics
Acknowledgement
Download
Help
Secondary metabolite: Fomefficinic acid E
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C33H48O5
SMILES:
CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=CC[C@@H]3[C@](C1=CC2)(C)CCC(=O)C3(C)C)C)[C@H](C(=O)O)CCC(=C)C(C)C
InChI:
InChI=1S/C33H48O5/c1-19(2)20(3)10-11-22(29(36)37)25-18-28(38-21(4)34)33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(25,33)8/h12,14,19,22,25-26,28H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,28+,31-,32-,33-/m1/s1
InChIKey:
FVOOCQKPVCFFSH-VPDRPMEHSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CCC4CCCC4C3=CCC2C1
Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CCC23)C1
Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CCC23)C1
Chemical classification
Kingdom:
Organic compounds
Super class:
Lipids and lipid-like molecules
Class:
Steroids and steroid derivatives
Sub class:
Ergostane steroids
Synonymous chemical names:
fomefficinic acid e
External chemical identifiers:
ZINC_ZINC000085602264
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