Janthinocin A
AlkaPlorer ID: AK479181
Synonym: None
IUPAC Name: 2-amino-N-[(15Z)-6-(3-aminopropyl)-3-benzyl-15-ethylidene-24-(1-hydroxyethyl)-9-[hydroxy(1H-indol-3-yl)methyl]-12,21-bis(hydroxymethyl)-18-(1-hydroxy-2-methylpropyl)-2,5,8,11,14,17,20,23,26-nonaoxo-28-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-27-yl]-3-methylpentanamide
Structure
SMILES: C/C=C1\N=C(O)C(C(O)C(C)C)N=C(O)C(CO)N=C(O)C(C(C)O)N=C(O)C(N=C(O)C(N)C(C)CC)C(C(C)C)OC(=O)C(CC2=CC=CC=C2)N=C(O)C(CCCN)N=C(O)C(C(O)C2=CNC3=CC=CC=C23)N=C(O)C(CO)N=C1O
InChI: InChI=1S/C57H84N12O16/c1-9-29(7)40(59)52(79)69-44-47(28(5)6)85-57(84)37(23-31-17-12-11-13-18-31)63-49(76)36(21-16-22-58)62-55(82)43(46(74)33-24-60-35-20-15-14-19-32(33)35)68-50(77)38(25-70)64-48(75)34(10-2)61-54(81)42(45(73)27(3)4)67-51(78)39(26-71)65-53(80)41(30(8)72)66-56(44)83/h10-15,17-20,24,27-30,36-47,60,70-74H,9,16,21-23,25-26,58-59H2,1-8H3,(H,61,81)(H,62,82)(H,63,76)(H,64,75)(H,65,80)(H,66,83)(H,67,78)(H,68,77)(H,69,79)/b34-10-
InChIKey: OLHPIHADOUWWTO-FWBDCHAOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Janthinobacterium lividum | Janthinobacterium | Oxalobacteraceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1193.367
TPSA？: 488.59000000000015
MolLogP？: 3.9811000000000143
Number of H-Donors: 17
Number of H-Acceptors: 18
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|