Hoshinoamide B
AlkaPlorer ID: AK013125
Synonym: None
IUPAC Name: methyl (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[9-[4-(4-hydroxyphenyl)butanoylamino]nonanoyl-methylamino]-4-methylpentanoyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CC(C)C)N(C)C(=O)CCCCCCCCN=C(O)CCCC1=CC=C(O)C=C1)C(=O)N(C)[C@@H](C(O)=N[C@@H](CCC(=N)O)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)OC)C(C)C
InChI: InChI=1S/C64H99N9O12/c1-11-44(6)56(68-58(78)51(40-42(2)3)69(7)55(77)30-19-14-12-13-15-20-37-66-54(76)29-21-26-45-31-33-47(74)34-32-45)63(83)71(9)57(43(4)5)59(79)67-48(35-36-53(65)75)60(80)72-38-22-27-49(72)61(81)70(8)52(41-46-24-17-16-18-25-46)62(82)73-39-23-28-50(73)64(84)85-10/h16-18,24-25,31-34,42-44,48-52,56-57,74H,11-15,19-23,26-30,35-41H2,1-10H3,(H2,65,75)(H,66,76)(H,67,79)(H,68,78)/t44-,48-,49-,50-,51-,52-,56-,57+/m0/s1
InChIKey: NSVRPKQYFYOKJR-RGEGFSPNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | None | None | Diplopoda | Arthropoda | Metazoa | Eukaryota |
| Caldora penicillata | Caldora | None | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1186.5469999999996
TPSA？: 289.93
MolLogP？: 8.994670000000006
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 29000.0 | nM | 10.1021/acs.jnatprod.8b00643 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1000.0 | nM | 10.1021/acs.jnatprod.8b00643 |