Molecule

Rubijervine

AlkaPlorer ID: AK016518

Synonym: ''

IUPAC Name: (1S,2R,7R,10R,11S,13S,14S,15S,16S,17S,20R,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-ene-7,13-diol

Structure

SMILES: C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C)N2C1

InChI: InChI=1S/C27H43NO2/c1-15-5-8-22-16(2)25-23(28(22)14-15)12-21-19-7-6-17-11-18(29)9-10-26(17,3)20(19)13-24(30)27(21,25)4/h6,15-16,18-25,29-30H,5,7-14H2,1-4H3/t15-,16-,18-,19-,20+,21+,22+,23+,24+,25-,26+,27-/m1/s1

InChIKey: AANKDJLVHZQCFG-NZPVSSSYSA-N

Reference

Biosynthesis of C-nor-D-homo-steroidal alkaloids from acetate-1-14C, cholesterol-4-14C and cholesterol-26-14C in Veratrum grandiflorum

PubChem CID: 162880187

LOTUS: LTS0191026

SuperNatural Ⅲ: SN0000408-07

NPASS: NPC311310

Source

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

Properties Information

Molecule Weight: 413.6460000000002

TPSA？: 43.7

MolLogP？: 4.625800000000005

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi