YM 254890
AlkaPlorer ID: AK318055
Synonym: None
IUPAC Name: [1-[21-acetamido-18-benzyl-3-(1-methoxyethyl)-4,9,10,12,16,22-hexamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] 2-acetamido-3-hydroxy-4-methylpentanoate
Structure
SMILES: C=C1C(O)=NC(C)C(=O)N(C)C(C)C(O)=NC(C(OC(=O)C(N=C(C)O)C(O)C(C)C)C(C)C)C(=O)N(C)C(C(C)OC)C(=O)OC(C)C(N=C(C)O)C(=O)OC(CC2=CC=CC=C2)C(=O)N1C
InChI: InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)
InChIKey: QVYLWCAYZGFGNF-UHFFFAOYSA-N
Reference
YM-254890, a Novel Platelet Aggregation Inhibitor Produced by Chromobacterium sp. QS3666
PubChem CID: 9919455
CAS: 568580-02-9
LOTUS: LTS0125189
COCONUT: CNP0243408.2
{NPAtlas: NPA002209
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chromobacterium sp. | Chromobacterium | Chromobacteriaceae | Neisseriales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 960.092
TPSA？: 299.65000000000003
MolLogP？: 2.7119000000000115
Number of H-Donors: 5
Number of H-Acceptors: 15
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|