Molecule

Anthranoyllycoctonine

AlkaPlorer ID: AK010933

Synonym: None

IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate

Structure

SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC

InChI: InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22+,23-,24+,25-,26+,28?,29+,30-,31+,32-/m1/s1

InChIKey: NNDHDYDFEDRMGH-CAEIVAEBSA-N

Reference

Deltaline, A New Alkaloid from Delphinium Occidentale S. Wats

PubChem CID: 441708

CAS: 22413-78-1

LOTUS: LTS0176073

NPASS: NPC223590

data_source: manually

Source

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

Properties Information

Molecule Weight: 586.7260000000002

TPSA？: 132.94000000000003

MolLogP？: 1.7179000000000022

Number of H-Donors: 3

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	Mus musculus	LD50	20.8	mg.kg-1	10.1021/np50120a007
Oryctolagus cuniculus	Oryctolagus cuniculus	Activity	-5.0	bpm	10.1021/np50006a006
Oryctolagus cuniculus	Oryctolagus cuniculus	Activity	5.0	bpm	10.1021/np50006a006
Oryctolagus cuniculus	Oryctolagus cuniculus	Activity	8.0	bpm	10.1021/np50006a006
None	Unchecked	EC50	12882.5	nM	10.1016/j.ejmech.2010.05.042