Molecule

Ocoteine

AlkaPlorer ID: AK048392

Synonym: None

IUPAC Name: (12S)-7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene

Structure

SMILES: COC1=CC2=C(C=C1OC)C1=C3OCOC3=C(OC)C3=C1[C@H](C2)N(C)CC3

InChI: InChI=1S/C21H23NO5/c1-22-6-5-12-17-14(22)7-11-8-15(23-2)16(24-3)9-13(11)18(17)20-21(19(12)25-4)27-10-26-20/h8-9,14H,5-7,10H2,1-4H3/t14-/m0/s1

InChIKey: XEZKWYLHAOYOCL-AWEZNQCLSA-N

Reference

Benzylisoquinoline alkaloids and flavonols from Ocotea vellosiana

PubChem CID: 52499

CAS: 73791-37-4

LOTUS: LTS0149019

SuperNatural Ⅲ: SN0428362-01

NPASS: NPC149090

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Cassytha	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Asteronyx loveni	Asteronyx	Asteronychidae	Euryalida	Ophiuroidea	Echinodermata	Metazoa	Eukaryota
Mazzaella laminarioides	Mazzaella	Gigartinaceae	Gigartinales	Florideophyceae	Rhodophyta	None	Eukaryota
Cardamine amara	Cardamine	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phillyrea latifolia	Phillyrea	Oleaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Litsea sericea	Litsea	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 369.41700000000014

TPSA？: 49.39000000000001

MolLogP？: 3.193200000000002

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Entamoeba histolytica	Entamoeba histolytica	IC50	18.89	ug.mL-1	10.1007/s00044-011-9767-1
Entamoeba histolytica	Entamoeba histolytica	IC50	51200.0	nM	10.1021/np000144r
Homo sapiens	KB	IC50	74300.0	nM	10.1021/np000144r
Homo sapiens	Sclerostin	IC50	1500.0	nM	None
Plasmodium falciparum	Plasmodium falciparum	IC50	34800.0	nM	10.1021/np000144r
None	Platelet	Activity	0.0	%	10.1021/np970348g
None	Platelet	Activity	87.7	%	10.1021/np970348g