(8S,10R,13S,14S,16R,17S)-17-[2-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetyl]-6-hydroxy-10,13,16-trimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
- InChIKey: VDRMYIRMMZPUDN-MHQDJAMUSA-N
- InChI: InChI=1S/C38H52N6O3/c1-25-20-29-27-22-31(46)30-21-26(45)8-10-37(30,2)28(27)9-11-38(29,3)35(25)32(47)24-41-16-18-43(19-17-41)34-23-33(42-12-4-5-13-42)39-36(40-34)44-14-6-7-15-44/h8-10,21,23,25,27,29,31,35,46H,4-7,11-20,22,24H2,1-3H3/t25-,27-,29+,31?,35-,37-,38+/m1/s1
- SMILES: C[C@@H]1C[C@H]2[C@@H]3CC(C4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@H]1C(=O)CN5CCN(CC5)C6=NC(=NC(=C6)N7CCCC7)N8CCCC8)C)C)O
- Exact Mass: 640.41009
- Molecular Formula: C38H52N6O3
-
Compound CID:
154700011
154700011
Hidden Reactions Filter
Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products.
These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph.
To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.
You can have all these paths in the download output.
You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
- Carbon dioxide → Formylmethanofuran
- Acrolein → Chembl3706542
- Ethylene oxide → Acetyl-coa
- Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.
Click on a node or edge to see details here.