Hoshinoamide A
AlkaPlorer ID: AK013382
Synonym: '', 'Hoshinoamide A'
IUPAC Name: methyl (2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[6-[4-(4-hydroxyphenyl)butanoylamino]hexanoyl-methylamino]-4-methylpentanoyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]-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)CCCCCN=C(O)CCCC1=CC=C(O)C=C1)C(=O)N(C)[C@@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)OC)C(C)C)C(C)C
InChI: InChI=1S/C61H95N9O12/c1-13-41(8)53(66-56(76)47(36-38(2)3)67(9)51(74)27-18-15-19-34-63-50(73)26-20-24-42-28-30-44(71)31-29-42)60(80)69(11)54(40(6)7)57(77)64-45(32-33-49(62)72)55(75)65-52(39(4)5)59(79)68(10)48(37-43-22-16-14-17-23-43)58(78)70-35-21-25-46(70)61(81)82-12/h14,16-17,22-23,28-31,38-41,45-48,52-54,71H,13,15,18-21,24-27,32-37H2,1-12H3,(H2,62,72)(H,63,73)(H,64,77)(H,65,75)(H,66,76)/t41-,45-,46-,47-,48+,52-,53-,54+/m0/s1
InChIKey: MBRGVPJSDHLXNJ-IOPSTANCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Caldora penicillata | Caldora | None | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1146.4819999999988
TPSA？: 302.21
MolLogP？: 8.814470000000005
Number of H-Donors: 7
Number of H-Acceptors: 12
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 14000.0 | nM | 10.1021/acs.jnatprod.8b00643 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 520.0 | nM | 10.1021/acs.jnatprod.8b00643 |