MeFSAT
Me
dicinal
F
ungi
S
econdary metabolites
A
nd
T
herapeutics
Home
Basic search
Advanced search
Statistics
Acknowledgement
Download
Help
Secondary metabolite: (25R)-antcin C
Summary
Physicochemical properties
Drug-likeness properties
ADMET properties
Descriptors
Summary
Molecular formula:
C29H42O5
SMILES:
C[C@H](C(=C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC(=O)C1=C2[C@@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2C)C)C(=O)O
InChI:
InChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21,23,31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17-,18?,19-,20+,21+,23+,28+,29-/m1/s1
InChIKey:
TWISSXUWVGIUBP-GXCICQDZSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(CCC2C1)C1CCCC1CC3=O
Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CC(O)C23)C1
Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CC(C)C23)C1
Chemical classification
Kingdom:
Organic compounds
Super class:
Lipids and lipid-like molecules
Class:
Steroids and steroid derivatives
Sub class:
Bile acids, alcohols and derivatives
Synonymous chemical names:
(25r)-antcin c
External chemical identifiers:
CID_101877728
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