methyl (2E,5S,6R,7S,9S,10S,14R,15R,16R,17E)-7-{[(3S,5R,7S,8S,9R)-9-[2-(2-carbamoyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-3-(carbamoyloxy)-7-hydroxy-9-methoxy-5,8-dimethylnonanoyl]oxy}-5,9,15-trimethoxy-6,10,14,16-tetramethyl-18-(N-methylformamido)-13-oxooctad
AlkaPlorer ID: AK588809
Synonym: None
IUPAC Name: methyl 7-[9-[2-(2-carbamoyl-1,3-oxazol-4-yl)-1,3-oxazol-4-yl]-3-carbamoyloxy-7-hydroxy-9-methoxy-5,8-dimethylnonanoyl]oxy-18-[formyl(methyl)amino]-5,9,15-trimethoxy-6,10,14,16-tetramethyl-13-oxooctadeca-2,17-dienoate
Structure
SMILES: COC(=O)C=CCC(OC)C(C)C(CC(OC)C(C)CCC(=O)C(C)C(OC)C(C)C=CN(C)C=O)OC(=O)CC(CC(C)CC(O)C(C)C(OC)C1=COC(C2=COC(C(N)=O)=N2)=N1)OC(=N)O
InChI: InChI=1S/C48H75N5O16/c1-27(21-37(56)31(5)44(65-12)34-24-66-46(51-34)35-25-67-47(52-35)45(49)59)20-33(68-48(50)60)22-42(58)69-40(32(6)38(61-8)14-13-15-41(57)63-10)23-39(62-9)28(2)16-17-36(55)30(4)43(64-11)29(3)18-19-53(7)26-54/h13,15,18-19,24-33,37-40,43-44,56H,14,16-17,20-23H2,1-12H3,(H2,49,59)(H2,50,60)
InChIKey: ZBPDIZGDFWNENK-UHFFFAOYSA-N
Reference
Four New Kabiramides from the Thai Sponge, Pachastrissa nux
PubChem CID: 162853463
LOTUS: LTS0078599
COCONUT: CNP0116103.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penares nux | Penares | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 978.1469999999998
TPSA？: 295.59
MolLogP？: 5.759170000000007
Number of H-Donors: 4
Number of H-Acceptors: 18
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|