(3Z,19Z)-25,28-dihydroxy-9-methyl-11-oxa-22,27-diazahexacyclo[24.2.1.0?,¹?.0?,¹?.0?,¹³.0¹?,¹²]nonacosa-1(28),3,19-triene-2,21,29-trione
AlkaPlorer ID: AK502492
Synonym: None
IUPAC Name: (3E,5R,7R,8S,9S,10R,12S,13S,15R,17R,19Z,25S,26R)-2,25-dihydroxy-9-methyl-11-oxa-22,27-diazahexacyclo[24.2.1.05,17.07,15.08,13.010,12]nonacosa-1,3,19-triene-21,28,29-trione
Structure
SMILES: C[C@@H]1[C@H]2O[C@H]2[C@H]2C[C@H]3C[C@H]4C/C=C\C(O)=NCC[C@H](O)[C@H]5NC(O)=C(C(=O)/C=C/[C@@H]4C[C@H]3[C@@H]12)C5=O
InChI: InChI=1S/C27H34N2O6/c1-12-21-16-10-14-5-6-18(30)22-24(33)23(29-27(22)34)19(31)7-8-28-20(32)4-2-3-13(14)9-15(16)11-17(21)26-25(12)35-26/h2,4-6,12-17,19,21,23,25-26,29,31,34H,3,7-11H2,1H3,(H,28,32)/b4-2-,6-5+/t12-,13+,14+,15+,16+,17-,19-,21+,23+,25+,26-/m0/s1
InChIKey: QNUCYHJCXBLKDH-SWHNODDASA-N
Reference
Discodermide: a new bioactive macrocyclic lactam from the marine sponge Discodermia dissoluta
LOTUS: LTS0076434
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Discodermia dissoluta | Discodermia | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 482.57700000000017
TPSA？: 131.75
MolLogP？: 2.4014000000000006
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|