Molecule

Calycanthine

AlkaPlorer ID: AK010148

Synonym: None

IUPAC Name: (1S,2R,10S,11R)-21,24-dimethyl-3,12,21,24-tetrazahexacyclo[9.7.3.32,10.01,10.04,9.013,18]tetracosa-4,6,8,13,15,17-hexaene

Structure

SMILES: CN1CC[C@]23C4=CC=CC=C4N[C@H]1[C@]21CCN(C)[C@H]3NC2=CC=CC=C21

InChI: InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1

InChIKey: XSYCDVWYEVUDKQ-GXRSIYKFSA-N

Reference

Alkaloids from Palicourea coriacea (Cham.) K. Schum.

PubChem CID: 5392245

LOTUS: LTS0076637

SuperNatural Ⅲ: SN0439231-06

NPASS: NPC252794

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aconitum ouvrardianum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phaeanthus macropodus	Phaeanthus	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helichrysum crispum	Helichrysum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Temnopleurus hardwickii	Temnopleurus	Temnopleuridae	Temnopleuroida	Echinoidea	Echinodermata	Metazoa	Eukaryota
Narcissus papyraceus	Narcissus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Myristica maingayi	Myristica	Myristicaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heliotropium arguzioides	Heliotropium	Heliotropiaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces fragilis	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Rosa sericea	Rosa	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cyclamen cyprium	Cyclamen	Primulaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Epilachna borealis	Epilachna	Coccinellidae	Coleoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Volutaria crupinoides	Volutaria	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Psidium cattleyanum	Psidium	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Chimonanthus praecox	Chimonanthus	Calycanthaceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Idiospermum australiense	Idiospermum	Calycanthaceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Quercus miyagii	Quercus	Fagaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 346.478

TPSA？: 30.54

MolLogP？: 3.036600000000001

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Escherichia coli K-12	Beta-lactamase AmpC	Potency	5623.4	nM	None
Homo sapiens	Geminin	Potency	1258.9	nM	None
Homo sapiens	Glutaminase kidney isoform, mitochondrial	Potency	7079.5	nM	None
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	39810.7	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 1	Potency	44668.4	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	5221.3	nM	None
None	Unchecked	Activity	20.4	%	10.1021/np50122a007
None	Unchecked	Activity	nan	None	10.1021/np50122a007
None	Unchecked	Potency	4466.8	nM	None