Hirsutellic Acid A
AlkaPlorer ID: AK059785
Synonym: None
IUPAC Name: 2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-methylpentanoyl]-methylamino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]benzoic acid
Structure
SMILES: CC[C@@H](C)[C@H](N)C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)NC1=CC=CC=C1C(=O)O
InChI: InChI=1S/C29H40N4O5/c1-6-19(4)25(30)28(36)33(5)24(17-20-12-8-7-9-13-20)27(35)32-23(16-18(2)3)26(34)31-22-15-11-10-14-21(22)29(37)38/h7-15,18-19,23-25H,6,16-17,30H2,1-5H3,(H,31,34)(H,32,35)(H,37,38)/t19-,23+,24-,25+/m1/s1
InChIKey: NBHDIKSJKKZUEO-MNVNNWCQSA-N
Reference
An Antimalarial Tetrapeptide from the Entomopathogenic Fungus <i>Hirsutella </i>sp. BCC 1528
PubChem CID: 11663650
LOTUS: LTS0241678
SuperNatural Ⅲ: SN0240836-01
NPASS: NPC189116
{NPAtlas: NPA009405
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hirsutella sp. | Hirsutella | Ophiocordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
| None | Hirsutella | Ophiocordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 524.6620000000003
TPSA？: 141.82999999999998
MolLogP？: 3.297300000000001
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | Activity | nan | None | 10.1021/np050549h |
| Homo sapiens | KB | Activity | nan | None | 10.1021/np050549h |
| Homo sapiens | NCI-H187 | Activity | nan | None | 10.1021/np050549h |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 8000.0 | nM | 10.1021/np050549h |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np050549h |