Jagaricin
AlkaPlorer ID: AK087569
Synonym: None
IUPAC Name: (3S)-N-[(Z)-1-[[(3R,6S,12R,15E,18R,21R,24S,25R)-12-(3-amino-3-oxopropyl)-15-ethylidene-6,21-bis[(1S)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-3-(1H-imidazol-5-ylmethyl)-25-methyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-1-oxobut-2-en-2-yl]-3-hydroxytetradecanamide
Structure
SMILES: C/C=C(\N=C(O)C[C@@H](O)CCCCCCCCCCC)C(O)=N[C@@H]1C(O)=N[C@H]([C@H](C)O)C(O)=N[C@H](CC2=CC=C(O)C=C2)C(O)=N/C(=C/C)C(O)=N[C@H](CCC(=N)O)C(O)=NCC(O)=N[C@@H]([C@H](C)O)C(O)=N[C@H](CC2=CN=CN2)C(=O)O[C@@H]1C
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+/t31-,32-,33+,37-,40+,41+,42+,46-,47+,48-/m0/s1
InChIKey: GXSYDPCLPOIUNM-SDNZGRCJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Janthinobacterium agaricidamnosum | Janthinobacterium | Oxalobacteraceae | Burkholderiales | Betaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1181.356
TPSA？: 473.2900000000001
MolLogP？: 7.222470000000008
Number of H-Donors: 16
Number of H-Acceptors: 17
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|