Jagaricin
AlkaPlorer ID: AK303207
Synonym: None
IUPAC Name: None
Structure
SMILES: C/C=C(/NC(=O)CC(O)CCCCCCCCCCC)C(=O)NC1C(=O)NC(C(C)O)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)N/C(=C/C)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CC2=CNC=N2)C(=O)OC1C
InChI: InChI=1S/C56H84N12O16/c1-7-10-11-12-13-14-15-16-17-18-37(72)27-44(74)61-38(8-2)51(78)68-48-33(6)84-56(83)42(26-35-28-58-30-60-35)65-53(80)46(31(4)69)66-45(75)29-59-49(76)40(23-24-43(57)73)63-50(77)39(9-3)62-52(79)41(25-34-19-21-36(71)22-20-34)64-54(81)47(32(5)70)67-55(48)82/h8-9,19-22,28,30-33,37,40-42,46-48,69-72H,7,10-18,23-27,29H2,1-6H3,(H2,57,73)(H,58,60)(H,59,76)(H,61,74)(H,62,79)(H,63,77)(H,64,81)(H,65,80)(H,66,75)(H,67,82)(H,68,78)/b38-8+,39-9+
InChIKey: GXSYDPCLPOIUNM-WSSNLJFWSA-N
Reference
CAS: 1422729-34-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Janthinobacterium agaricidamnosum | Janthinobacterium | Oxalobacteraceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1181.3559999999998
TPSA？: 440.88999999999993
MolLogP？: -1.3902000000000092
Number of H-Donors: 15
Number of H-Acceptors: 17
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|