Molecule

Pachyaximine A

AlkaPlorer ID: AK003270

Synonym: ''

IUPAC Name: (1S)-1-[(3S,8S,9S,10R,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N,N-dimethylethanamine

Structure

SMILES: CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1

InChI: InChI=1S/C24H41NO/c1-16(25(4)5)20-9-10-21-19-8-7-17-15-18(26-6)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,16,18-22H,8-15H2,1-6H3/t16-,18-,19-,20+,21-,22-,23-,24+/m0/s1

InChIKey: ZTNBSFMIFOLVCM-MCTVSQGJSA-N

Reference

Alkaloids of Sarcococca saligna

PubChem CID: 44358210

LOTUS: LTS0136764

SuperNatural Ⅲ: SN0479849-04

NPASS: NPC75810

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pachysandra procumbens	Pachysandra	Buxaceae	Buxales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Liabum floribundum	Liabum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Bufo gargarizans	Bufo	Bufonidae	Anura	Amphibia	Chordata	Metazoa	Eukaryota
Sarcococca saligna	Sarcococca	Buxaceae	Buxales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Penstemon serrulatus	Penstemon	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Atropa belladonna	Atropa	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 359.5980000000002

TPSA？: 12.47

MolLogP？: 5.530500000000006

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Acetylcholinesterase	IC50	42657.95	nM	10.1016/j.bmcl.2003.09.034
Homo sapiens	Anti-estrogen binding site (AEBS)	IC50	400.0	nM	10.1021/np980162x
Homo sapiens	Ishikawa	Activity	nan	None	10.1021/np980162x