Molecule

Sarcovagine C

AlkaPlorer ID: AK067464

Synonym: None

IUPAC Name: [(3S,4R,5R,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-(methylamino)ethyl]-3-[[(E)-2-methylbut-2-enoyl]amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate

Structure

SMILES: C/C=C(\C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)NC)CC[C@H]4[C@@H]3CC[C@H]2[C@H]1OC(C)=O

InChI: InChI=1S/C29H48N2O3/c1-8-17(2)27(33)31-25-14-16-29(6)23-13-15-28(5)21(18(3)30-7)11-12-22(28)20(23)9-10-24(29)26(25)34-19(4)32/h8,18,20-26,30H,9-16H2,1-7H3,(H,31,33)/b17-8+/t18-,20-,21+,22-,23-,24-,25-,26+,28+,29+/m0/s1

InChIKey: JGVUURLOQKRQKQ-ZLTQYVKSSA-N

Reference

Bioactive 5α-Pregnane-Type Steroidal Alkaloids from <i>Sarcococca hookeriana</i>

PubChem CID: 25033601

LOTUS: LTS0066531

SuperNatural Ⅲ: SN0165137-01

NPASS: NPC66862

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cassia leptophylla	Cassia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Plantago serraria	Plantago	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces mirabilis	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Crotalaria rosenii	Crotalaria	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Alpinia galanga	Alpinia	Zingiberaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sarcococca hookeriana	Sarcococca	Buxaceae	Buxales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ampelopsis japonica	Ampelopsis	Vitaceae	Vitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia regis-jubae	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia peplis	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cneorum pulverulentum	Cneorum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dendrodoa grossularia	Dendrodoa	Styelidae	Stolidobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 472.7140000000003

TPSA？: 67.43

MolLogP？: 5.245800000000005

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	IZ	20.0	mm	10.1021/np800305b
Bacillus subtilis	Bacillus subtilis	MIC	64300.0	nM	10.1021/np800305b
Enterococcus faecalis	Enterococcus faecalis	IZ	12.0	mm	10.1021/np800305b
Homo sapiens	Acetylcholinesterase	IC50	8100.0	nM	10.1021/np800305b
Homo sapiens	Butyrylcholinesterase	IC50	400.0	nM	10.1021/np800305b
Leishmania major	Leishmania major	IC50	1500.0	nM	10.1021/np800305b
Micrococcus luteus	Micrococcus luteus	IZ	13.5	mm	10.1021/np800305b
Micrococcus luteus	Micrococcus luteus	MIC	64300.0	nM	10.1021/np800305b
Pseudomonas	Pseudomonas	IZ	17.5	mm	10.1021/np800305b
Pseudomonas	Pseudomonas	MIC	32100.0	nM	10.1021/np800305b