Kailuins; Kailuin A
AlkaPlorer ID: AK303438
Synonym: None
IUPAC Name: 3-butan-2-yl-19-heptyl-9-(1-hydroxyethyl)-12-(hydroxymethyl)-6,15-bis(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Structure
SMILES: CCCCCCCC1CC(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)O1
InChI: InChI=1S/C35H63N5O9/c1-9-11-12-13-14-15-24-18-28(43)36-25(16-20(3)4)31(44)38-27(19-41)33(46)40-30(23(8)42)34(47)37-26(17-21(5)6)32(45)39-29(22(7)10-2)35(48)49-24/h20-27,29-30,41-42H,9-19H2,1-8H3,(H,36,43)(H,37,47)(H,38,44)(H,39,45)(H,40,46)
InChIKey: YYMQJCKOEJZMAW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| bacterium | None | None | None | None | None | None | Bacteria |
| Photobacterium sp. | Photobacterium | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 697.9150000000001
TPSA？: 212.26
MolLogP？: 1.5978000000000074
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|