Molecule

Cryptopleurine; (±)-form

AlkaPlorer ID: AK293297

Synonym: None

IUPAC Name: 2,3,6-trimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizine

Structure

SMILES: COC1=CC=C2C3=C(CC4CCCCN4C3)C3=CC(OC)=C(OC)C=C3C2=C1

InChI: InChI=1S/C24H27NO3/c1-26-16-7-8-17-19(11-16)21-13-24(28-3)23(27-2)12-20(21)18-10-15-6-4-5-9-25(15)14-22(17)18/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3

InChIKey: RSHYSOGXGSUUIJ-UHFFFAOYSA-N

Reference

Crytopleurine: and alkaloid of Cryptocarya pleurosperma White & Francis

PubChem CID: 3750957

CAS: 482-22-4

LOTUS: LTS0237278

COCONUT: CNP0312654.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Cissus	Vitaceae	Vitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Boehmeria caudata	Boehmeria	Urticaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Boehmeria cylindrica	Boehmeria	Urticaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cryptocarya laevigata	Cryptocarya	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Boehmeria platyphylla	Boehmeria	Urticaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Boehmeria	Urticaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cryptocarya pleurosperma	Cryptocarya	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 377.4840000000001

TPSA？: 30.930000000000003

MolLogP？: 4.9294000000000056

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	CCRF-CEM	GI50	2.0	nM	10.1016/j.bmcl.2007.11.054
Homo sapiens	PANC-1	GI50	0.5	nM	10.1016/j.bmcl.2007.11.054
None	NON-PROTEIN TARGET	GI50	1.5	nM	10.1016/j.bmcl.2007.11.054
None	Unchecked	IC50	1.4	nM	10.1016/j.bmcl.2007.11.054
None	Unchecked	IC50	10.0	nM	10.1016/j.bmcl.2007.11.054
None	Unchecked	IC50	18.6	nM	10.1016/j.bmcl.2007.11.054
None	Unchecked	IC50	25.0	nM	10.1016/j.bmcl.2007.11.054