Molecule

isotalatizidine

AlkaPlorer ID: AK001477

Synonym: '', '(1alpha,14alpha,16beta)-20-ethyl-16-methoxy-4-(methoxymethyl)aconitane-1,8,14-triol', 'Isotalatizidine', 'Talatizidine'

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

Structure

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

InChI: InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-/m1/s1

InChIKey: RBSZCNOWHDHRFZ-YRNFJLKESA-N

Reference

Alkaloids ofAconitum saposhnikovii andA. karacolicum

PubChem CID: 101600422

LOTUS: LTS0242839

SuperNatural Ⅲ: SN0321096-17

NPASS: NPC29021

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cyclobacterium marinum	Cyclobacterium	Cyclobacteriaceae	Cytophagales	Cytophagia	Bacteroidota	None	Bacteria
Balanites roxburghii	Balanites	Zygophyllaceae	Zygophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gerbera jamesonii	Gerbera	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ruptiliocarpon caracolito	Ruptiliocarpon	Lepidobotryaceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Asplenium ceterach	Asplenium	Aspleniaceae	Polypodiales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Glycine clandestina	Glycine	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 407.55100000000016

TPSA？: 82.39000000000001

MolLogP？: 0.8771000000000005

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi