127943-53-7
AlkaPlorer ID: AK013316
Synonym: '358968-12-4', '', 'Discodermolide', '(+)-Discodermolide'
IUPAC Name: [(3Z,5S,6R,7R,8R,9S,11Z,13R,14S,15S,16Z,18S)-8,14,18-trihydroxy-19-[(2R,3S,4R,5S)-4-hydroxy-3,5-dimethyl-6-oxooxan-2-yl]-5,7,9,11,13,15-hexamethylnonadeca-1,3,11,16-tetraen-6-yl] carbamate
Structure
SMILES: C=C/C=C\[C@H](C)[C@@H](OC(=N)O)[C@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@H]1OC(=O)[C@@H](C)[C@H](O)[C@@H]1C
InChI: InChI=1S/C33H55NO8/c1-10-11-12-20(4)31(42-33(34)40)24(8)29(37)22(6)16-18(2)15-21(5)28(36)19(3)13-14-26(35)17-27-23(7)30(38)25(9)32(39)41-27/h10-15,19-31,35-38H,1,16-17H2,2-9H3,(H2,34,40)/b12-11-,14-13-,18-15-/t19-,20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30+,31+/m0/s1
InChIKey: AADVCYNFEREWOS-GNOOABAISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Discodermia dissoluta | Discodermia | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 593.8020000000002
TPSA？: 160.53
MolLogP？: 4.710970000000005
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|