Renieramycin P
AlkaPlorer ID: AK056358
Synonym: None
IUPAC Name: [(1R,2S,10R,12S,13S,14S)-12,14,16,19-tetrahydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl (Z)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(/C)C(=O)OC[C@H]1C2=C(C[C@H]3[C@H]4C5=C(C(O)=C(C)C(OC)=C5O)[C@H](O)[C@@H]([C@H](O)N13)N4C)C(=O)C(C)=C(OC)C2=O
InChI: InChI=1S/C30H36N2O10/c1-8-11(2)30(39)42-10-16-17-14(22(33)12(3)27(40-6)25(17)36)9-15-20-18-19(23(34)13(4)28(41-7)26(18)37)24(35)21(31(20)5)29(38)32(15)16/h8,15-16,20-21,24,29,34-35,37-38H,9-10H2,1-7H3/b11-8-/t15-,16-,20-,21-,24-,29-/m0/s1
InChIKey: SKXSGLVROQRUTK-IGJCFTIESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 584.6220000000002
TPSA？: 166.29999999999998
MolLogP？: 1.4564199999999996
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 12.3 | nM | 10.1021/np030092g |
| Mus musculus | P388 | IC50 | 0.53 | nM | 10.1016/j.ejmech.2020.113092 |
| Mus musculus | P388 | IC50 | 0.53 | nM | 10.1021/np030092g |
| Rattus norvegicus | 3Y1 cell line | Activity | nan | None | 10.1021/np030092g |
| None | NON-PROTEIN TARGET | Activity | 90.0 | % | 10.1021/np030092g |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np030092g |
| None | NON-PROTEIN TARGET | IC50 | 5.3 | nM | 10.1021/np030092g |