Molecule

4-Methylaconitane-1,6,7,8,10,14,16-heptol; (1α,6β,14α,16β)-form, 7,8-Methylene, O1,O16-di-Me, N-Et, 6-Ac

AlkaPlorer ID: AK305804

Synonym: Dictyocarpine, 6-Acetyldictyocarpinine

IUPAC Name: (14-ethyl-2,4-dihydroxy-6,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl) acetate

Structure

SMILES: CCN1CC2(C)CCC(OC)C34C2C(OC(C)=O)C2(OCOC25CC(OC)C2CC3(O)C5C2O)C14

InChI: InChI=1S/C26H39NO8/c1-6-27-11-22(3)8-7-16(32-5)25-19(22)20(35-13(2)28)26(21(25)27)24(33-12-34-26)10-15(31-4)14-9-23(25,30)18(24)17(14)29/h14-21,29-30H,6-12H2,1-5H3

InChIKey: AIICBVJTYIFTLW-UHFFFAOYSA-N

Reference

Alkaloidas of Aconitum columbianum Nutt.

PubChem CID: 185280

CAS: 59989-92-3

LOTUS: LTS0065426

COCONUT: CNP0136222.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aconitum columbianum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Delphinium glaucescens	Delphinium	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Delphinium	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Delphinium	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 493.5970000000003

TPSA？: 106.92000000000002

MolLogP？: 0.6958000000000022

Number of H-Donors: 2

Number of H-Acceptors: 9

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi