MC-WAba
AlkaPlorer ID: AK067278
Synonym: None
IUPAC Name: (5R,11R,12S,15S,18S,19S,22R)-15-ethyl-8-(1H-indol-3-ylmethyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
Structure
SMILES: C=C1C(O)=N[C@H](C)C(O)=NC(CC2=CNC3=CC=CC=C23)C(O)=N[C@@H](C(=O)O)[C@H](C)C(O)=N[C@@H](CC)C(O)=N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C(O)=N[C@@H](C(=O)O)CCC(=O)N1C
InChI: InChI=1S/C52H68N8O12/c1-10-37-49(66)56-38(21-20-28(2)24-29(3)42(72-9)25-34-16-12-11-13-17-34)30(4)45(62)57-40(51(68)69)22-23-43(61)60(8)33(7)48(65)54-32(6)47(64)58-41(26-35-27-53-39-19-15-14-18-36(35)39)50(67)59-44(52(70)71)31(5)46(63)55-37/h11-21,24,27,29-32,37-38,40-42,44,53H,7,10,22-23,25-26H2,1-6,8-9H3,(H,54,65)(H,55,63)(H,56,66)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H,70,71)/b21-20+,28-24+/t29-,30-,31-,32+,37-,38-,40+,41?,42-,44+/m0/s1
InChIKey: NKNOACROYYAXRI-KQXWQTRWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Chroococcaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 997.16
TPSA？: 315.47
MolLogP？: 7.694500000000008
Number of H-Donors: 9
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|