Canucin B
AlkaPlorer ID: AK117842
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[[(3S,9S,16R,19R,22S,25S)-3-benzyl-5,8,11,14,18,21,24-heptahydroxy-19-methyl-22-(2-methylpropyl)-2-oxo-9-propan-2-yl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosa-4,7,10,13,17,20,23-heptaen-16-yl]-hydroxymethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]butanedioic acid
Structure
SMILES: CC[C@H](C)[C@H](N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@H]1CC(O)=NCC(O)=N[C@@H](C(C)C)C(O)=NCC(O)=N[C@@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C)C(O)=N1)C(O)=N[C@@H](CC1=CN=CN1)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](CC(=O)O)C(=O)O
InChI: InChI=1S/C79H102N16O18/c1-8-46(6)67(77(110)91-57(37-52-40-80-43-83-52)72(105)87-55(34-49-24-15-10-16-25-49)71(104)92-60(79(112)113)39-65(99)100)94-74(107)56(35-50-26-17-11-18-27-50)89-70(103)54(33-48-22-13-9-14-23-48)88-73(106)58-38-62(96)81-41-64(98)93-66(45(4)5)76(109)82-42-63(97)85-59(36-51-28-19-12-20-29-51)78(111)95-31-21-30-61(95)75(108)90-53(32-44(2)3)69(102)84-47(7)68(101)86-58/h9-20,22-29,40,43-47,53-61,66-67H,8,21,30-39,41-42H2,1-7H3,(H,80,83)(H,81,96)(H,82,109)(H,84,102)(H,85,97)(H,86,101)(H,87,105)(H,88,106)(H,89,103)(H,90,108)(H,91,110)(H,92,104)(H,93,98)(H,94,107)(H,99,100)(H,112,113)/t46-,47+,53-,54-,55-,56-,57-,58+,59-,60-,61-,66-,67-/m0/s1
InChIKey: HFUVEKUMCOZNEW-GWGLQJHZSA-N
Reference
A genetics-free method for high-throughput discovery of cryptic microbial metabolites
PubChem CID: 163192080
LOTUS: LTS0031452
{NPAtlas: NPA027165
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces canus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1563.7790000000002
TPSA？: 547.2600000000002
MolLogP？: 10.13420000000001
Number of H-Donors: 16
Number of H-Acceptors: 17
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|