Molecule

Veralkamine

AlkaPlorer ID: AK016375

Synonym: ''

IUPAC Name: (3R,8R,9S,10S,14S,16S,17R)-10,17-dimethyl-17-[(1S)-1-[(2S,5S)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

Structure

SMILES: C[C@H]1CC[C@@H]([C@@H](C)[C@]2(C)C3=CC[C@H]4[C@@H](CC=C5C[C@H](O)CC[C@]54C)[C@@H]3C[C@@H]2O)NC1

InChI: InChI=1S/C27H43NO2/c1-16-5-10-24(28-15-16)17(2)27(4)23-9-8-22-20(21(23)14-25(27)30)7-6-18-13-19(29)11-12-26(18,22)3/h6,9,16-17,19-22,24-25,28-30H,5,7-8,10-15H2,1-4H3/t16-,17+,19+,20-,21-,22-,24-,25-,26+,27+/m0/s1

InChIKey: DMLNDBOUFBIGIL-YDIDKTJNSA-N

Reference

Alkaloids of Veratrum lobelianum. V

PubChem CID: 162947407

LOTUS: LTS0252925

SuperNatural Ⅲ: SN0069673-02

NPASS: NPC101175

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Stemonoporus canaliculatus	Stemonoporus	Dipterocarpaceae	Malvales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia spicigera	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Bulnesia retama	Bulnesia	Zygophyllaceae	Zygophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phyllanthus acuminatus	Phyllanthus	Phyllanthaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Delphinium ternatum	Delphinium	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tetrapleura tetraptera	Tetrapleura	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 413.6460000000002

TPSA？: 52.49

MolLogP？: 4.841400000000005

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi