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Dicentrine

AlkaPlorer ID: AK007641

Synonym: None

IUPAC Name: (12S)-16,17-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene

Structure

SMILES: COC1=CC2=C(C=C1OC)C1=C3C(=CC4=C1OCO4)CCN(C)[C@H]3C2

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InChI: InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1

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InChIKey: YJWBWQWUHVXPNC-AWEZNQCLSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Ocotea leucoxylon Ocotea Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Illigera luzonensis Illigera Hernandiaceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Stephania dicentrinifera Stephania Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Baptisia australis Baptisia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Balaenoptera borealis Balaenoptera Balaenopteridae Artiodactyla Mammalia Chordata Metazoa Eukaryota
Asteronyx loveni Asteronyx Asteronychidae Euryalida Ophiuroidea Echinodermata Metazoa Eukaryota
Pachypodium lealii Pachypodium Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper sylvaticum Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phalaenopsis equestris Phalaenopsis Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Avena fatua Avena Poaceae Poales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Porphyridium purpureum Porphyridium Porphyridiaceae Porphyridiales Bangiophyceae Rhodophyta None Eukaryota
Mazzaella laminarioides Mazzaella Gigartinaceae Gigartinales Florideophyceae Rhodophyta None Eukaryota
Cassytha filiformis Cassytha Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sideritis discolor Sideritis Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pycnarrhena novoguineensis Pycnarrhena Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pedicularis chinensis Pedicularis Orobanchaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Breynia officinalis Breynia Phyllanthaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Stephania tetrandra Stephania Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Duguetia surinamensis Duguetia Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cardamine amara Cardamine Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nassauvia uniflora Nassauvia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Schisandra nigra Schisandra Schisandraceae Austrobaileyales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Iris decora Iris Iridaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Phillyrea latifolia Phillyrea Oleaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hymenothrix wislizeni Hymenothrix Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Litsea sericea Litsea Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Sinomenium acutum Sinomenium Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Brickellia diffusa Brickellia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Brickellia paniculata Brickellia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 339.3910000000001

TPSA？: 40.16

MolLogP？: 3.184600000000001

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cyclin-dependent kinase 2 IC50 50000.0 nM 10.1016/j.bmcl.2010.01.007
Homo sapiens HCT-116 IC50 8800.0 nM 10.1021/acs.jnatprod.9b00287
Homo sapiens HepG2 IC50 10000.0 nM 10.1021/acs.jnatprod.9b00287
Homo sapiens HL-60 IC50 3700.0 nM 10.1021/acs.jnatprod.9b00287
Homo sapiens MCF7 IC50 10000.0 nM 10.1021/acs.jnatprod.9b00287
Homo sapiens MRC5 IC50 10000.0 nM 10.1021/acs.jnatprod.9b00287
Rattus norvegicus Aorta Activity 22.5 % 10.1021/np50123a013
Rattus norvegicus Aorta Activity 77.5 % 10.1021/np50123a013
Rattus norvegicus Aorta IC50 80.0 nM 10.1021/np070564h
Saccharomyces cerevisiae Saccharomyces cerevisiae Activity nan None 10.1021/np990442s
None NON-PROTEIN TARGET Activity 0.0 % 10.1021/np9700735
None NON-PROTEIN TARGET Activity 3.2 % 10.1021/np9700735
None NON-PROTEIN TARGET Activity 4.0 % 10.1021/np9700735
None NON-PROTEIN TARGET Activity 7.6 % 10.1021/np9700735
None NON-PROTEIN TARGET Activity 55.1 % 10.1021/np9700735
None NON-PROTEIN TARGET Activity 77.7 % 10.1021/np9700735
None NON-PROTEIN TARGET Activity 83.4 % 10.1021/np9700735
None Platelet Activity 0.0 % 10.1021/np50123a013
None Platelet Activity 3.1 % 10.1021/np50123a013

Metabolism Information