Ptilomycalin F
AlkaPlorer ID: AK142557
Synonym: None
IUPAC Name: None
Structure
SMILES: CC[C@@H]1C=CCC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCCNC(=N)N)CCCN=CO)[C@@]5(CCC[C@H](C)O5)NC(=N2)N34)O1
InChI: InChI=1S/C47H82N8O6/c1-3-39-24-16-17-28-46(61-39)35-38-26-27-40-42(47(29-21-23-37(2)60-47)53-45(52-46)55(38)40)43(58)59-34-20-14-12-10-8-6-4-5-7-9-11-13-15-25-41(57)54(33-22-30-50-36-56)32-19-18-31-51-44(48)49/h16,24,36-40,42H,3-15,17-23,25-35H2,1-2H3,(H,50,56)(H,52,53)(H4,48,49,51)/t37-,38+,39+,40-,42-,46+,47-/m0/s1
InChIKey: JIOMULHTJSQVSX-HMWCYYBSSA-N
Reference
Novel taxoids from the Chinese yew Taxus yunnanensis
PubChem CID: 132606964
NPASS: NPC489387
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monanchora unguiculata | Monanchora | Crambeidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 855.2229999999998
TPSA？: 187.19
MolLogP？: 7.998170000000008
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 1610.0 | nM | 10.1021/acs.jnatprod.6b01079 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 230.0 | nM | 10.1021/acs.jnatprod.6b01079 |
| None | Unchecked | Ratio IC50 | 7.0 | None | 10.1021/acs.jnatprod.6b01079 |