Molecule

Hookerianamide J

AlkaPlorer ID: AK051803

Synonym: None

IUPAC Name: N-[(3S,4R,5R,8R,9S,10R,13S,14S)-17-[(1S)-1-(dimethylamino)ethyl]-4-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-3-methylbut-2-enamide

Structure

SMILES: CC(C)=CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@@H]32)[C@H]1O

InChI: InChI=1S/C28H46N2O2/c1-17(2)16-25(31)29-24-13-15-28(5)22-12-14-27(4)20(18(3)30(6)7)10-11-21(27)19(22)8-9-23(28)26(24)32/h10,16,18-19,21-24,26,32H,8-9,11-15H2,1-7H3,(H,29,31)/t18-,19-,21-,22-,23-,24-,26+,27+,28+/m0/s1

InChIKey: UBWMSSICUOCSHT-BJHCZKLTSA-N

Reference

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

PubChem CID: 25016666

LOTUS: LTS0007946

SuperNatural Ⅲ: SN0366248-01

NPASS: NPC55462

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: 442.6880000000002

TPSA？: 52.57000000000001

MolLogP？: 4.937300000000006

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	IZ	15.0	mm	10.1021/np800305b
Bacillus subtilis	Bacillus subtilis	MIC	141400.0	nM	10.1021/np800305b
Enterococcus faecalis	Enterococcus faecalis	Activity	nan	None	10.1021/np800305b
Homo sapiens	Acetylcholinesterase	IC50	48500.0	nM	10.1021/np800305b
Homo sapiens	Butyrylcholinesterase	IC50	800.0	nM	10.1021/np800305b
Leishmania major	Leishmania major	IC50	11300.0	nM	10.1021/np800305b
Micrococcus luteus	Micrococcus luteus	Activity	nan	None	10.1021/np800305b
Micrococcus luteus	Micrococcus luteus	MIC	nan	None	10.1021/np800305b
Pseudomonas	Pseudomonas	IZ	12.0	mm	10.1021/np800305b
Pseudomonas	Pseudomonas	MIC	70700.0	nM	10.1021/np800305b