Molecule

Acoforine

AlkaPlorer ID: AK128604

Synonym: ''

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

Structure

SMILES: CCO[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(C)=O)[C@@]13[C@@H](OC)CC[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2C[C@H]43

InChI: InChI=1S/C28H45NO6/c1-7-29-14-26(15-31-4)10-9-22(33-6)28-18-11-17-20(32-5)13-27(34-8-2,19(25(28)29)12-21(26)28)23(18)24(17)35-16(3)30/h17-25H,7-15H2,1-6H3/t17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+,28-/m1/s1

InChIKey: MBNBAHNWJUHSQR-GQIRAUAMSA-N

Reference

Macrorhynines A and B, Two Novel Norditerpenoid Alkaloids from <i>Aconitum macrorhynchum</i>

PubChem CID: 162937319

LOTUS: LTS0256401

SuperNatural Ⅲ: SN0221162-03

NPASS: NPC277299

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Erica australis	Erica	Ericaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pinus mugo	Pinus	Pinaceae	Pinales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 491.6690000000004

TPSA？: 66.46000000000001

MolLogP？: 3.146200000000003

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi