Araplysillin I; 19-Hydroxy, N20-sulfo
AlkaPlorer ID: AK289117
Synonym: 19-Hydroxyaraplysillin N20-sulfamate
IUPAC Name: [2-[3,5-dibromo-4-[3-[(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]propoxy]phenyl]-2-hydroxyethyl]sulfamic acid
Structure
SMILES: COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCCCOC1=C(Br)C=C(C(O)CNS(=O)(=O)O)C=C1Br)=NO2
InChI: InChI=1S/C21H23Br4N3O9S/c1-35-18-13(24)7-21(19(30)16(18)25)8-14(28-37-21)20(31)26-3-2-4-36-17-11(22)5-10(6-12(17)23)15(29)9-27-38(32,33)34/h5-7,15,19,27,29-30H,2-4,8-9H2,1H3,(H,26,31)(H,32,33,34)
InChIKey: SLHCHXOGYRNKME-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella flabelliformis | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 813.1100000000002
TPSA？: 176.00999999999996
MolLogP？: 2.9438000000000004
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|