methyl 2-[(1E,5R,6S,8S,9S,13R,14R,16E)-6-{[(3R,5E,8R,9S)-9-(2-carbamoyl-1,3-oxazol-4-yl)-3-hydroxy-9-methoxy-8-methyl-7-oxonon-5-enoyl]oxy}-8,14-dimethoxy-5,9,13-trimethyl-17-(N-methylformamido)-12-oxoheptadeca-1,16-dien-1-yl]-1,3-oxazole-4-carboxylate
AlkaPlorer ID: AK598245
Synonym: None
IUPAC Name: methyl 2-[6-[9-(2-carbamoyl-1,3-oxazol-4-yl)-3-hydroxy-9-methoxy-8-methyl-7-oxonon-5-enoyl]oxy-17-[formyl(methyl)amino]-8,14-dimethoxy-5,9,13-trimethyl-12-oxoheptadeca-1,16-dienyl]-1,3-oxazole-4-carboxylate
Structure
SMILES: COC(=O)C1=COC(C=CCCC(C)C(CC(OC)C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC(=O)CC(O)CC=CC(=O)C(C)C(OC)C2=COC(C(N)=O)=N2)=N1
InChI: InChI=1S/C44H64N4O14/c1-27(14-10-11-18-39-46-33(25-60-39)44(55)59-9)38(23-37(57-7)28(2)19-20-35(52)29(3)36(56-6)17-13-21-48(5)26-49)62-40(53)22-31(50)15-12-16-34(51)30(4)41(58-8)32-24-61-43(47-32)42(45)54/h11-13,16,18,21,24-31,36-38,41,50H,10,14-15,17,19-20,22-23H2,1-9H3,(H2,45,54)
InChIKey: ZXRAPGWKFNGPQU-UHFFFAOYSA-N
Reference
New Macrolides from the Sponge <i>Chondrosia</i> <i>c</i><i>orticata</i>
PubChem CID: 85166050
CAS: 185847-14-7
LOTUS: LTS0025391
COCONUT: CNP0259049.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chondrosia corticata | Chondrosia | Chondrillidae | Chondrillida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 873.01
TPSA？: 250.12
MolLogP？: 5.213200000000005
Number of H-Donors: 2
Number of H-Acceptors: 16
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|