Molecule

5-OHKF

AlkaPlorer ID: AK091715

Synonym: ''

IUPAC Name: (2R)-N-[(2S)-5-amino-1-[[(2R,3S)-1-[[(3S,6Z,9S,12R,15R,18R,19S)-9-benzyl-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-1-[(2R)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2R)-2-[(5-hydroxy-5-methylhexanoyl)amino]-3-methylbutanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide

Structure

SMILES: C/C=C1\N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H](C(C)C)N=C(O)[C@@H]([C@@H](C)CC)N=C(O)[C@H](N=C(O)[C@H](N=C(O)[C@H](CCCN)N=C(O)[C@H]2CCCN2C(=O)[C@H](N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H](N=C(O)CCCC(C)(C)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@H](C)OC(=O)[C@H](C(C)C)N=C1O

InChI: InChI=1S/C75H124N14O17/c1-20-43(14)58(70(100)88-61-46(17)106-74(104)57(42(12)13)84-62(92)48(22-3)77-64(94)50(37-47-29-24-23-25-30-47)79-66(96)54(39(6)7)81-69(99)59(44(15)21-2)86-72(61)102)85-63(93)49(31-27-35-76)78-65(95)51-32-28-36-89(51)73(103)56(41(10)11)83-68(98)55(40(8)9)82-71(101)60(45(16)90)87-67(97)53(38(4)5)80-52(91)33-26-34-75(18,19)105/h22-25,29-30,38-46,49-51,53-61,90,105H,20-21,26-28,31-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)/b48-22-/t43-,44-,45+,46-,49-,50-,51+,53+,54+,55-,56+,57-,58+,59+,60-,61+/m0/s1

InChIKey: ALXLPJFIZHADTG-RZOAWTJHSA-N

Reference

5-OHKF and NorKA, Depsipeptides from a Hawaiian Collection of <i>Bryopsis pennata</i>: Binding Properties for NorKA to the Human Neuropeptide Y Y<sub>1</sub> Receptor

PubChem CID: 46878643

LOTUS: LTS0090676

NPASS: NPC470902

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Bryopsis pennata	Bryopsis	Bryopsidaceae	Bryopsidales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 1493.897999999998

TPSA？: 504.1700000000002

MolLogP？: 11.034900000000004

Number of H-Donors: 15

Number of H-Acceptors: 18

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Plasmodium falciparum	Plasmodium falciparum	IC50	1.2	ug.mL-1	10.1021/np900287e
Plasmodium falciparum	Plasmodium falciparum	IC50	1.5	ug.mL-1	10.1021/np900287e