Kahalalide P; 4'-Deoxy
AlkaPlorer ID: AK303432
Synonym: Kahalalide Q
IUPAC Name: 2-[3-(4-aminobutyl)-6,27-dibenzyl-12,24-bis(hydroxymethyl)-34-(6-methylheptyl)-9-(2-methylpropyl)-2,5,8,11,14,20,23,26,29,32,36-undecaoxo-21-propan-2-yl-35-oxa-1,4,7,10,13,19,22,25,28,31-decazatricyclo[35.3.0.015,19]tetracontan-30-yl]acetic acid
Structure
SMILES: CC(C)CCCCCC1CC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)O1
InChI: InChI=1S/C66H99N11O16/c1-39(2)20-10-7-15-25-44-35-54(80)68-49(36-55(81)82)60(86)72-48(34-43-23-13-9-14-24-43)59(85)73-51(38-79)62(88)75-56(41(5)6)65(91)76-30-18-27-52(76)63(89)74-50(37-78)61(87)70-46(32-40(3)4)57(83)71-47(33-42-21-11-8-12-22-42)58(84)69-45(26-16-17-29-67)64(90)77-31-19-28-53(77)66(92)93-44/h8-9,11-14,21-24,39-41,44-53,56,78-79H,7,10,15-20,25-38,67H2,1-6H3,(H,68,80)(H,69,84)(H,70,87)(H,71,83)(H,72,86)(H,73,85)(H,74,89)(H,75,88)(H,81,82)
InChIKey: XFUYXFJNLPIYBW-UHFFFAOYSA-N
Reference
Molecular Insights into the Biosynthesis of Guadinomine: A Type III Secretion System Inhibitor
PubChem CID: 73049758
COCONUT: CNP0082099.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Bryopsis | Bryopsidaceae | Bryopsidales | Ulvophyceae | Chlorophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1302.5790000000002
TPSA？: 403.4999999999999
MolLogP？: 0.5445999999999902
Number of H-Donors: 12
Number of H-Acceptors: 16
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|