Secohalichondramide
AlkaPlorer ID: AK062693
Synonym: ''
IUPAC Name: methyl 4-[4-[(E,1R,2R,7S)-9-[(2E,6S,7S,9S,10R,14S,15R,17E)-1-amino-18-[formyl(methyl)amino]-9,15-dimethoxy-6,10,14-trimethyl-1,13-dioxooctadeca-2,17-dien-7-yl]oxy-7-hydroxy-1-methoxy-2-methyl-3,9-dioxonon-4-enyl]-1,3-oxazol-2-yl]-1,3-oxazole-2-carboxylate
Structure
SMILES: COC(=O)C1=NC(C2=NC([C@H](OC)[C@@H](C)C(=O)/C=C/C[C@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)[C@@H](C)CC/C=C/C(=N)O)=CO2)=CO1
InChI: InChI=1S/C44H64N4O14/c1-27(14-10-11-18-39(45)53)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(54)22-31(50)15-12-16-34(51)30(4)41(58-8)32-24-60-42(46-32)33-25-61-43(47-33)44(55)59-9/h11-13,16,18,21,24-31,36-38,41,50H,10,14-15,17,19-20,22-23H2,1-9H3,(H2,45,53)/b16-12+,18-11+,21-13+/t27-,28+,29+,30-,31-,36+,37-,38-,41+/m0/s1
InChIKey: NWHQAZYYZFUYMW-CDXZFNIXSA-N
Reference
New Macrolides from the Sponge <i>Chondrosia</i> <i>c</i><i>orticata</i>
PubChem CID: 162818941
LOTUS: LTS0157064
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chondrosia corticata | Chondrosia | Chondrillidae | Chondrillida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 873.0100000000002
TPSA？: 251.11
MolLogP？: 6.159370000000006
Number of H-Donors: 3
Number of H-Acceptors: 16
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|