Molecule

Rs-22C

AlkaPlorer ID: AK032414

Synonym: '2-demethylazalomycin F5a', 'RS-22C', 'RS-22 C'

IUPAC Name: 3-[[(1R,3R,5S,7R,9R,10E,12E,14S,15S,18E,20E,22S,23S,25R,26R,27S,30R,31R,33R,34S,35S)-15-[(E,2S)-10-[(N,N'-dimethylcarbamimidoyl)amino]dec-6-en-2-yl]-5,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,22,26,30-pentamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-3-yl]oxy]-3-oxopropanoic acid

Structure

SMILES: CN=C(NC)NCCC/C=C/CCC[C@H](C)[C@@H]1OC(=O)/C=C/C=C/[C@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@@H](O)CC[C@@H](C)[C@H](O)C[C@@]2(O)O[C@@H](C[C@H](OC(=O)CC(=O)O)C[C@@H](O)C[C@@H](O)C[C@@H](O)/C(C)=C/C=C/[C@@H]1C)C[C@H](O)[C@@H]2O

InChI: InChI=1S/C56H95N3O17/c1-34-18-14-15-22-51(70)75-53(37(4)19-13-11-9-10-12-16-25-59-55(57-7)58-8)38(5)21-17-20-35(2)45(63)28-41(61)26-40(60)27-42(74-52(71)32-50(68)69)29-43-30-48(66)54(72)56(73,76-43)33-49(67)36(3)23-24-44(62)39(6)47(65)31-46(34)64/h9-10,14-15,17-18,20-22,34,36-49,53-54,60-67,72-73H,11-13,16,19,23-33H2,1-8H3,(H,68,69)(H2,57,58,59)/b10-9+,18-14+,21-17+,22-15+,35-20+/t34-,36+,37-,38-,39+,40-,41+,42+,43-,44-,45+,46-,47+,48-,49+,53-,54-,56+/m0/s1

InChIKey: QZHGHZHNPQLENX-NFSOQZLOSA-N

Reference

PubChem CID: 162910953

SuperNatural Ⅲ: SN0319218-04

NPASS: NPC7130

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Glottiphyllum longum	Glottiphyllum	Aizoaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Adenocarpus decorticans	Adenocarpus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Montanoa tomentosa	Montanoa	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pinus nigra	Pinus	Pinaceae	Pinales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Piper novae-hollandiae	Piper	Piperaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tropaeolum peregrinum	Tropaeolum	Tropaeolaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mesua thwaitesii	Mesua	Calophyllaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aristolochia serpentaria	Aristolochia	Aristolochiaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Halimeda scabra	Halimeda	Halimedaceae	Bryopsidales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota
Crotalaria trifoliastrum	Crotalaria	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Entoleuca mammata	Entoleuca	Xylariaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Drupella fragum	Drupella	Muricidae	Neogastropoda	Gastropoda	Mollusca	Metazoa	Eukaryota
Cossus cossus	Cossus	Cossidae	Lepidoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Swertia perennis	Swertia	Gentianaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lasius umbratus	Lasius	Formicidae	Hymenoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Haplopappus taeda	Haplopappus	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 1082.38

TPSA？: 337.85

MolLogP？: 3.241600000000005

Number of H-Donors: 13

Number of H-Acceptors: 17

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi