Molecule

browniine

AlkaPlorer ID: AK048233

Synonym: '', 'Browniine', 'Aconitane-7,8,14-triol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, (1-alpha,6-beta,14-alpha,16-beta)-'

IUPAC Name: (1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16R,17R,18S)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol

Structure

SMILES: CCN1C[C@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14

InChI: InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18+,19-,20+,21+,22+,23-,24+,25-/m1/s1

InChIKey: MODXUQZMEBLSJD-WIRSCEAYSA-N

Reference

Diterpenoid Alkaloids from <i>Delphinium majus</i>

PubChem CID: 131880018

LOTUS: LTS0060851

SuperNatural Ⅲ: SN0230865-09

NPASS: NPC256377

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Polygala caudata	Polygala	Polygalaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Malus domestica	Malus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Thapsia garganica	Thapsia	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Serratia marcescens	Serratia	Yersiniaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Zanthoxylum dipetalum	Zanthoxylum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 467.6030000000002

TPSA？: 100.85000000000002

MolLogP？: 0.2710000000000028

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi