[Dhb5]Nodularin-R
AlkaPlorer ID: AK060443
Synonym: None
IUPAC Name: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-6,13-dimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
Structure
SMILES: C/C=C1\N=C(O)CC[C@H](C(=O)O)N=C(O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](C)[C@H](C(=O)O)N=C1O
InChI: InChI=1S/C40H58N8O10/c1-7-27-36(52)48-33(39(56)57)25(5)35(51)46-29(14-11-19-43-40(41)42)37(53)45-28(24(4)34(50)47-30(38(54)55)17-18-32(49)44-27)16-15-22(2)20-23(3)31(58-6)21-26-12-9-8-10-13-26/h7-10,12-13,15-16,20,23-25,28-31,33H,11,14,17-19,21H2,1-6H3,(H,44,49)(H,45,53)(H,46,51)(H,47,50)(H,48,52)(H,54,55)(H,56,57)(H4,41,42,43)/b16-15+,22-20+,27-7-/t23-,24-,25-,28-,29-,30+,31-,33+/m0/s1
InChIKey: GWNYQTAZKANWTF-NQXHTJFWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nodularia spumigena | Nodularia | Aphanizomenonaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 810.9499999999999
TPSA？: 308.68
MolLogP？: 5.041870000000005
Number of H-Donors: 10
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|