UNPD50190
AlkaPlorer ID: AK465192
Synonym: None
IUPAC Name: None
Structure
SMILES: COCC(C(O)C(O)C(O)=NCCC(C)C1=NC(C=CCC2OC3(CC(O)C2C)OC(C(CC(O)C(C)C(O)C(C)C=C(C)C(C)=C/C=C/C=CC#N)OC)C(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?
InChIKey: NETBPLMLOTXQJJ-CFNQBLSTSA-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 |
|---|