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name Structure Reference Source Properties Activities Metabolism

Racemosidine A

AlkaPlorer ID: AK066459

Synonym: None

IUPAC Name: (1R,16R)-26,37-dimethoxy-15,31-dimethyl-8,24,34-trioxa-15,31-diazaoctacyclo[19.10.3.29,12.13,7.118,22.011,16.025,33.028,32]octatriaconta-3(38),4,6,9(37),10,12(36),18(35),19,21,25,27,32-dodecaen-6-ol

Structure

SMILES: COC1=CC2=C3C=C1OC1=CC(=CC=C1O)C[C@@H]1C4=C(C=C(OC)C5=C4OC4=CC=C(C=C4CO5)C[C@H]3N(C)CC2)CCN1C

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InChI: InChI=1S/C37H38N2O6/c1-38-11-9-23-17-32(41-3)33-19-26(23)27(38)14-21-6-8-30-25(13-21)20-43-36-34(42-4)18-24-10-12-39(2)28(35(24)37(36)45-30)15-22-5-7-29(40)31(16-22)44-33/h5-8,13,16-19,27-28,40H,9-12,14-15,20H2,1-4H3/t27-,28-/m1/s1

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InChIKey: CQWDLZVYIHGYLN-VSGBNLITSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Cyclea racemosa Cyclea Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 606.7189999999999

TPSA？: 72.86

MolLogP？: 6.743200000000008

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A2780 IC50 6700.0 nM 10.1021/np1001863
Homo sapiens Bel-7402 IC50 6090.0 nM 10.1021/np1001863
Homo sapiens HCT-8 IC50 2800.0 nM 10.1021/np1001863

Metabolism Information