Kahalalide P
AlkaPlorer ID: AK303431
Synonym: None
IUPAC Name: 2-[3-(4-aminobutyl)-6,27-dibenzyl-17-hydroxy-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)N2CC(O)CC2C(=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/C66H99N11O17/c1-38(2)19-10-7-15-24-44-33-54(81)68-49(34-55(82)83)60(87)72-48(31-42-22-13-9-14-23-42)59(86)73-51(37-79)62(89)75-56(40(5)6)65(92)77-35-43(80)32-53(77)63(90)74-50(36-78)61(88)70-46(29-39(3)4)57(84)71-47(30-41-20-11-8-12-21-41)58(85)69-45(25-16-17-27-67)64(91)76-28-18-26-52(76)66(93)94-44/h8-9,11-14,20-23,38-40,43-53,56,78-80H,7,10,15-19,24-37,67H2,1-6H3,(H,68,81)(H,69,85)(H,70,88)(H,71,84)(H,72,87)(H,73,86)(H,74,90)(H,75,89)(H,82,83)
InChIKey: ANLFIKGGFIGXIO-UHFFFAOYSA-N
Reference
Medermycin-Type Naphthoquinones from the Marine-Derived <i>Streptomyces</i> sp. XMA39
PubChem CID: 73032829
COCONUT: CNP0427132.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Bryopsis | Bryopsidaceae | Bryopsidales | Ulvophyceae | Chlorophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1318.5780000000004
TPSA？: 423.7299999999999
MolLogP？: -0.4846000000000112
Number of H-Donors: 13
Number of H-Acceptors: 17
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|