Molecule

Anabaenopeptin H

AlkaPlorer ID: AK024129

Synonym: None

IUPAC Name: (2S)-2-[[(3S,6S,9S,12S,15R)-3,12-bis[(2S)-butan-2-yl]-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid

Structure

SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](N=C(O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCCN=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@H](CCC2=CC=C(O)C=C2)N(C)C(=O)[C@H](CCC2=CC=C(O)C=C2)N=C1O

InChI: InChI=1S/C46H70N10O10/c1-6-27(3)37-41(61)49-25-9-8-11-33(52-46(66)53-35(44(64)65)12-10-26-50-45(47)48)39(59)54-38(28(4)7-2)42(62)51-34(23-17-29-13-19-31(57)20-14-29)43(63)56(5)36(40(60)55-37)24-18-30-15-21-32(58)22-16-30/h13-16,19-22,27-28,33-38,57-58H,6-12,17-18,23-26H2,1-5H3,(H,49,61)(H,51,62)(H,54,59)(H,55,60)(H,64,65)(H4,47,48,50)(H2,52,53,66)/t27-,28-,33+,34-,35-,36-,37-,38-/m0/s1

InChIKey: FUQPCSMHHDRTPK-KUIUNYDASA-N

Reference

Anabaenopeptins G and H, Potent Carboxypeptidase A inhibitors from the cyanobacterium Oscillatoria agardhii (NIES-595)

PubChem CID: 21575383

LOTUS: LTS0120358

SuperNatural Ⅲ: SN0095991-02

NPASS: NPC276506

{

NPAtlas: NPA003830

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Elsholtzia bodinieri	Elsholtzia	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ambrosia cordifolia	Ambrosia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Romalea microptera	Romalea	Romaleidae	Orthoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Desmanthus illinoensis	Desmanthus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sistotrema raduloides	Sistotrema	Corticiaceae	Corticiales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Narcissus serotinus	Narcissus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pterocarpus angolensis	Pterocarpus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Croton hieronymi	Croton	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ipomoea purpurea	Ipomoea	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Oscillatoria	Oscillatoriaceae	Oscillatoriales	Cyanophyceae	Cyanobacteriota	None	Bacteria
None	Cyanobacterium	Geminocystaceae	Chroococcales	Cyanophyceae	Cyanobacteriota	None	Bacteria
Monomorium fieldi	Monomorium	Formicidae	Hymenoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 923.126

TPSA？: 334.95

MolLogP？: 5.286770000000011

Number of H-Donors: 12

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Carboxypeptidase A1	IC50	3.4	ug.mL-1	10.1021/np000120k
Homo sapiens	Carboxypeptidase A1	IC50	3700.0	nM	10.1016/j.bmcl.2016.09.008
Homo sapiens	Carboxypeptidase A1	IC50	10200.0	nM	10.1016/j.bmcl.2016.09.008
None	Unchecked	IC50	3.4	ug.mL-1	10.1016/s0960-894x(99)00191-2