Caissarine A
AlkaPlorer ID: AK021221
Synonym: '', 'Caissarine A'
IUPAC Name: (5R,6S)-7,9-dibromo-N-[(2R)-4-(diaminomethylideneamino)-2-hydroxybutyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Structure
SMILES: COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NC[C@H](O)CCNC(=N)N)=NO2
InChI: InChI=1S/C15H21Br2N5O5/c1-26-11-8(16)4-15(12(24)10(11)17)5-9(22-27-15)13(25)21-6-7(23)2-3-20-14(18)19/h4,7,12,23-24H,2-3,5-6H2,1H3,(H,21,25)(H4,18,19,20)/t7-,12-,15+/m1/s1
InChIKey: RXBVKUAAUFHYBW-JQYGPZFFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysina caissara | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 511.1710000000003
TPSA？: 162.28
MolLogP？: -0.2420299999999992
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|