Molecule

Prenylagaramide A

AlkaPlorer ID: AK024327

Synonym: None

IUPAC Name: 3-[(3S,6S,9S,12S,18S,24S,27S)-3-(2-amino-2-oxoethyl)-6,9-dibenzyl-18-[(1R)-1-hydroxyethyl]-24-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-2,5,8,11,14,17,20,23,26-nonaoxo-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontan-12-yl]propanoic acid

Structure

SMILES: CC(C)=CCOC1=CC=C(C[C@@H]2N=C(O)[C@@H]3CCCN3C(=O)[C@H](CC(=N)O)N=C(O)[C@H](CC3=CC=CC=C3)N=C(O)[C@H](CC3=CC=CC=C3)N=C(O)[C@H](CCC(=O)O)N=C(O)CN=C(O)[C@H]([C@@H](C)O)N=C(O)CN=C2O)C=C1

InChI: InChI=1S/C54H68N10O14/c1-31(2)22-24-78-36-18-16-35(17-19-36)27-38-48(71)56-30-45(68)63-47(32(3)65)53(76)57-29-44(67)58-37(20-21-46(69)70)49(72)59-39(25-33-11-6-4-7-12-33)50(73)60-40(26-34-13-8-5-9-14-34)51(74)62-41(28-43(55)66)54(77)64-23-10-15-42(64)52(75)61-38/h4-9,11-14,16-19,22,32,37-42,47,65H,10,15,20-21,23-30H2,1-3H3,(H2,55,66)(H,56,71)(H,57,76)(H,58,67)(H,59,72)(H,60,73)(H,61,75)(H,62,74)(H,63,68)(H,69,70)/t32-,37+,38+,39+,40+,41+,42+,47+/m1/s1

InChIKey: LXDPLRBOMKUKGF-DEOTVAGQSA-N

Reference

Prenylagaramides A and B, New Cyclic Peptides from Two Strains of <i>Oscillatoria agardhii</i>

PubChem CID: 10748669

LOTUS: LTS0009339

NPASS: NPC241164

{

NPAtlas: NPA008346

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
Monomorium fieldi	Monomorium	Formicidae	Hymenoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 1081.194

TPSA？: 391.8700000000001

MolLogP？: 6.098670000000009

Number of H-Donors: 12

Number of H-Acceptors: 13

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Carica papaya	Papain	Activity	None	None	10.1021/np980396g
Homo sapiens	Leucine aminopeptidase	Activity	None	None	10.1021/np980396g
Homo sapiens	Plasminogen	Activity	None	None	10.1021/np980396g
Homo sapiens	Thrombin	Activity	None	None	10.1021/np980396g
Mus musculus	P388	Activity	None	None	10.1021/np980396g
None	Unchecked	Activity	None	None	10.1021/np980396g