Discodermide
AlkaPlorer ID: AK296824
Synonym: None
IUPAC Name: 2,25-dihydroxy-10-methyl-12-oxa-22,27-diazahexacyclo[24.2.1.05,17.08,16.09,14.011,13]nonacosa-1,3,19-triene-21,28,29-trione
Structure
SMILES: CC1C2OC2C2CC3C4CC=CC(=O)NCCC(O)C5NC(O)=C(C(=O)C=CC4CCC3C12)C5=O
InChI: InChI=1S/C27H34N2O6/c1-12-21-15-7-5-13-6-8-18(30)22-24(33)23(29-27(22)34)19(31)9-10-28-20(32)4-2-3-14(13)16(15)11-17(21)26-25(12)35-26/h2,4,6,8,12-17,19,21,23,25-26,29,31,34H,3,5,7,9-11H2,1H3,(H,28,32)
InChIKey: FDWNTCRVFCCYKL-UHFFFAOYSA-N
Reference
COCONUT: CNP0018528.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Discodermia dissoluta | Discodermia | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 482.5770000000002
TPSA？: 128.26
MolLogP？: 1.5610999999999997
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|