UNPD101384
AlkaPlorer ID: AK465193
Synonym: None
IUPAC Name: [(2R,3R,5R,7R,8S,9S)-2-[(1S,3S,4S,5R,6R,7E,9Z,11E,13E)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9-tetramethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-hydroxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] dihydrogen phosphate
Structure
SMILES: COC[C@@H]([C@H](O)[C@H](O)C(O)=NCC[C@H](C)C1=NC(/C=C/C[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C\C=C\C=C\C#N)OC)[C@H](OP(=O)(O)O)C3(C)C)=CO1)N(C)C
InChI: InChI=1S/C49H79N4O15P/c1-29(18-15-13-14-16-22-50)31(3)24-32(4)41(56)34(6)37(54)25-40(64-12)44-45(68-69(60,61)62)48(7,8)49(67-44)26-38(55)33(5)39(66-49)20-17-19-35-27-65-47(52-35)30(2)21-23-51-46(59)43(58)42(57)36(28-63-11)53(9)10/h13-19,24,27,30,32-34,36-45,54-58H,20-21,23,25-26,28H2,1-12H3,(H,51,59)(H2,60,61,62)/b15-13+,16-14+,19-17+,29-18-,31-24+/t30-,32+,33-,34-,36-,37-,38+,39-,40-,41+,42-,43-,44+,45-,49+/m0/s1
InChIKey: NETBPLMLOTXQJJ-HZCONUAJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lamellomorpha strongylata | Lamellomorpha | Vulcanellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 995.158
TPSA？: 290.48
MolLogP？: 5.139180000000006
Number of H-Donors: 8
Number of H-Acceptors: 16
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|