Molecule

Hookerianamide I

AlkaPlorer ID: AK039755

Synonym: None

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

Structure

SMILES: CN[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C(=O)C5=CC=CC=C5)CC[C@]4(C)[C@H]3CC[C@]12C

InChI: InChI=1S/C30H46N2O/c1-20(31-4)25-13-14-26-24-12-11-22-19-23(32(5)28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27,31H,11-19H2,1-5H3/t20-,22-,23-,24-,25+,26-,27-,29-,30+/m0/s1

InChIKey: NISGMKNSSUMSSN-IBWRYCSWSA-N

Reference

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

PubChem CID: 44587245

LOTUS: LTS0139988

SuperNatural Ⅲ: SN0246698-02

NPASS: NPC126458

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: 450.7110000000002

TPSA？: 32.34

MolLogP？: 6.394000000000008

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	IZ	17.5	mm	10.1021/np800305b
Bacillus subtilis	Bacillus subtilis	MIC	69400.0	nM	10.1021/np800305b
Enterococcus faecalis	Enterococcus faecalis	IZ	8.0	mm	10.1021/np800305b
Leishmania major	Leishmania major	IC50	8800.0	nM	10.1021/np800305b
Micrococcus luteus	Micrococcus luteus	IZ	18.0	mm	10.1021/np800305b
Micrococcus luteus	Micrococcus luteus	MIC	34700.0	nM	10.1021/np800305b
Pseudomonas	Pseudomonas	IZ	18.5	mm	10.1021/np800305b
Pseudomonas	Pseudomonas	MIC	69400.0	nM	10.1021/np800305b