Molecule

(1S,2R,5S,10S,11S,14R,15S)-2,15-dimethyl-14-[(1S)-1-[(5S)-5-methyl-3,4,5,6-tetrahydropyridin-2-yl]ethyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol

AlkaPlorer ID: AK551169

Synonym: None

IUPAC Name: (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[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: CC(C1=NC[C@@H](C)CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

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-MAFAIHIWSA-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: 70699389

LOTUS: LTS0165276

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Veratrum maackii	Veratrum	Melanthiaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 397.6470000000002

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