Molecule

O-Methylsciadenine

AlkaPlorer ID: AK013129

Synonym: '(-)-Cycleanine', 'Cycleanine'

IUPAC Name: (11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene

Structure

SMILES: COC1=C(OC)C2=C3C(=C1)CCN(C)[C@@H]3CC1=CC=C(C=C1)OC1=C3C(=CC(OC)=C1OC)CCN(C)[C@@H]3CC1=CC=C(C=C1)O2

InChI: InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1

InChIKey: ANOXEUSGZWSCQL-LOYHVIPDSA-N

Reference

Inhibitory Effects of Plant Secondary Metabolites on Cytotoxic Activity of Polymorphonuclear Leucocytes

PubChem CID: 121313

CAS: 518-94-5

LOTUS: LTS0196414

SuperNatural Ⅲ: SN0010381-02

NPASS: NPC257084

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Passiflora coccinea	Passiflora	Passifloraceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Achyrocline satureioides	Achyrocline	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Maytenus octogona	Maytenus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heliothis maritima	Heliothis	Noctuidae	Lepidoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Pachypodium lealii	Pachypodium	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phalaenopsis equestris	Phalaenopsis	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Agathosma bisulca	Agathosma	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Porphyridium purpureum	Porphyridium	Porphyridiaceae	Porphyridiales	Bangiophyceae	Rhodophyta	None	Eukaryota
Sideritis discolor	Sideritis	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brickellia dentata	Brickellia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Russula paludosa	Russula	Russulaceae	Russulales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Schisandra nigra	Schisandra	Schisandraceae	Austrobaileyales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephania delavayi	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Karwinskia subcordata	Karwinskia	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brickellia diffusa	Brickellia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Funneliformis mosseae	Funneliformis	Glomeraceae	Glomerales	Glomeromycetes	Mucoromycota	Fungi	Eukaryota
Cissampelos pareira	Cissampelos	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 622.7620000000003

TPSA？: 61.86

MolLogP？: 7.162400000000008

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 10

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A2780	IC50	7600.0	nM	10.1016/j.bmcl.2018.03.038
Homo sapiens	IGROV-1	IC50	14000.0	nM	10.1016/j.bmcl.2018.03.038
Homo sapiens	OVCAR-8	IC50	10000.0	nM	10.1016/j.bmcl.2018.03.038
None	ADMET	Drug uptake	nan	None	10.1016/j.bmcl.2018.03.038
None	Unchecked	IC50	35000.0	nM	10.1016/j.bmcl.2018.03.038
None	Unchecked	Ratio IC50	3.0	None	10.1016/j.bmcl.2018.03.038
None	Unchecked	Ratio IC50	5.0	None	10.1016/j.bmcl.2018.03.038