Amaranzole A
AlkaPlorer ID: AK083673
Synonym: ''
IUPAC Name: [(2S,3R,5S,6S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-[5-(4-hydroxyphenyl)imidazol-1-yl]-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3-disulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate
Structure
SMILES: C=C(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4C[C@@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C)N1C=NC=C1C1=CC=C(O)C=C1
InChI: InChI=1S/C36H52N2O13S3/c1-21(2)30(38-20-37-19-31(38)23-7-9-24(39)10-8-23)13-6-22(3)26-11-12-27-25-16-32(49-52(40,41)42)29-17-33(50-53(43,44)45)34(51-54(46,47)48)18-36(29,5)28(25)14-15-35(26,27)4/h7-10,19-20,22,25-30,32-34,39H,1,6,11-18H2,2-5H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)/t22-,25+,26-,27+,28+,29-,30-,32+,33-,34+,35-,36-/m1/s1
InChIKey: RBOJSUADYKRPSB-JHGSQTGVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phorbas amaranthus | Phorbas | Hymedesmiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 817.0139999999998
TPSA？: 228.85
MolLogP？: 6.231900000000006
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|