Molecule

Verazine

AlkaPlorer ID: AK016659

Synonym: '', 'Epi-verazine'

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

Structure

SMILES: C[C@H]1CCC([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)=NC1

InChI: InChI=1S/C27H43NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,29H,5,7-16H2,1-4H3/t17-,18-,20-,21-,22+,23-,24-,26-,27-/m0/s1

InChIKey: VRBNGKPRTHBEIQ-NCCOKBSRSA-N

Reference

Studies on the constituents of Veratrum plants. II. Constituents of Veratrum nigrum L. var. ussuriense. (1). Structure and 1H- and 13C-nuclear magnetic resonance spectra of a new alkaloid, verussurinine, and related alkaloids.

PubChem CID: 161375890

LOTUS: LTS0134461

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Eclipta prostrata	Eclipta	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 397.6470000000003

TPSA？: 32.59

MolLogP？: 6.433300000000008

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi