Molecule

(1S,2R,3S,5R,6S,8S,9S,10R,13S,16R,17R)-11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-one

AlkaPlorer ID: AK253048

Synonym: None

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

Structure

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

InChI: InChI=1S/C23H35NO5/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/h12-18,20,25,27H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18-,20-,21+,22+,23-/m1/s1

InChIKey: OSLKTTGZLRCUHJ-WBLICCCQSA-N

Reference

Alkaloids ofAconitum saposhnikovii andA. karacolicum

PubChem CID: 162873977

LOTUS: LTS0077337

SuperNatural Ⅲ: SN0274077-02

NPASS: NPC85218

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: 405.53500000000014

TPSA？: 79.23

MolLogP？: 1.0853000000000006

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi