Molecule

Irehine

AlkaPlorer ID: AK015596

Synonym: '', 'Irehine'

IUPAC Name: (3S,8R,9R,10R,13S,14R,17S)-17-[(1S)-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@@]21C)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+/m0/s1

InChIKey: UJGXCOFZMJCRLN-SBVJFDTMSA-N

Reference

PubChem CID: 162957084

SuperNatural Ⅲ: SN0371994-01

NPASS: NPC36783

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
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
Leucas volkensii	Leucas	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	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