Archazolid E
AlkaPlorer ID: AK049727
Synonym: None
IUPAC Name: [(1S)-1-[4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-18-hydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl]-3-methylbutyl] N-methylcarbamate
Structure
SMILES: CN=C(O)O[C@@H](CC(C)C)C1=NC([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)=CS1
InChI: InChI=1S/C48H72N2O12S/c1-26(2)20-38(61-48(57)49-11)45-50-35(25-63-45)44-31(7)15-13-14-30(6)43(58-12)34(10)37(59-47-42(55)41(54)40(53)39(24-51)60-47)19-17-27(3)21-29(5)22-33(9)36(52)23-28(4)16-18-32(8)46(56)62-44/h13-15,17-19,21-23,25-26,31,33-34,36-44,47,51-55H,16,20,24H2,1-12H3,(H,49,57)/b15-13+,19-17+,27-21-,28-23+,29-22-,30-14+,32-18+/t31-,33-,34-,36+,37+,38-,39+,40+,41-,42+,43+,44-,47+/m0/s1
InChIKey: JOMXBNJRLRZHRP-OUEDXNQNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Archangium gephyra | Archangium | Archangiaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
| Archangium violaceum | Archangium | Archangiaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 901.1730000000005
TPSA？: 209.85
MolLogP？: 7.091900000000012
Number of H-Donors: 6
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Manduca sexta | V-type proton ATPase subunit B | IC50 | nan | None | 10.1021/np200036v |
| Mus musculus | L929 | GI50 | 510.0 | nM | 10.1021/np200036v |