Molecule

Irehine

AlkaPlorer ID: AK015595

Synonym: '', 'Irehine'

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

Structure

SMILES: C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C

InChI: InChI=1S/C23H39NO/c1-15(24(4)5)19-8-9-20-18-7-6-16-14-17(25)10-12-22(16,2)21(18)11-13-23(19,20)3/h6,15,17-21,25H,7-14H2,1-5H3/t15-,17+,18+,19-,20+,21+,22+,23-/m1/s1

InChIKey: UJGXCOFZMJCRLN-YDDBCJSBSA-N

Reference

New bioactive steroidal alkaloids from Buxus hyrcana

PubChem CID: 162957083

LOTUS: LTS0127940

SuperNatural Ⅲ: SN0371994-03

NPASS: NPC161162

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cassia leptophylla	Cassia	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Diplospora dubia	Diplospora	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Prostanthera prunelloides	Prostanthera	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Funtumia elastica	Funtumia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Vincetoxicum stauntonii	Vincetoxicum	Apocynaceae	Gentianales	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
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
Leucas volkensii	Leucas	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dendrodoa grossularia	Dendrodoa	Styelidae	Stolidobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 345.57100000000014

TPSA？: 23.47

MolLogP？: 4.876400000000005

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi