Molecule

Hirsuteine

AlkaPlorer ID: AK019358

Synonym: '3-Epicorynantheine'

IUPAC Name: methyl (E)-2-[(2S,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

Structure

SMILES: C=C[C@H]1CN2CCC3=C(NC4=CC=CC=C34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC

InChI: InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h4-8,13-14,17,20,23H,1,9-12H2,2-3H3/b18-13+/t14-,17-,20-/m0/s1

InChIKey: TZUGIFAYWNNSAO-XPOGPMDLSA-N

Reference

Leishmanicidal, Antiplasmodial and Cytotoxic Activity of Indole Alkaloids from Corynanthe pachyceras

PubChem CID: 3037997

LOTUS: LTS0048382

NPASS: NPC273374

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Uncaria macrophylla	Uncaria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ardisia pusilla	Ardisia	Primulaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Excoecaria cochinchinensis	Excoecaria	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Monochaetia dimorphospora	Monochaetia	Sporocadaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Actinostemma lobatum	Actinostemma	Cucurbitaceae	Cucurbitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dendrobium lohohense	Dendrobium	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Uncaria rhynchophylla	Uncaria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rosa gallica	Rosa	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephanitis pyri	Stephanitis	Tingidae	Hemiptera	Insecta	Arthropoda	Metazoa	Eukaryota
Stenocarpus salignus	Stenocarpus	Proteaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Uncaria sinensis	Uncaria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ulmus davidiana	Ulmus	Ulmaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 366.4610000000002

TPSA？: 54.56

MolLogP？: 3.592500000000002

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	HeLa	Activity	nan	None	10.1021/acs.jnatprod.8b00324
Homo sapiens	HepG2	Activity	nan	None	10.1021/acs.jnatprod.8b00324
Homo sapiens	HT-29	Activity	nan	None	10.1021/acs.jnatprod.8b00324
Homo sapiens	MCF7	Activity	nan	None	10.1021/acs.jnatprod.8b00324
Homo sapiens	Serotonin 1a (5-HT1a) receptor	EC50	100000.0	nM	10.1021/acs.jnatprod.9b00532
Mus musculus	B-cell line	IC50	13500.0	nM	10.1021/acs.jnatprod.8b00324
Mus musculus	Murine T-cell line	IC50	16800.0	nM	10.1021/acs.jnatprod.8b00324