<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4169</id>
  <title>T3D4115</title>
  <common-name>Rhodexin A</common-name>
  <description>Rhodexin A is a toxic glycoside that is the rhamnoside of sarmentogenin. Found in the leaves and roots of the Japanese evergreen Rhodea japonica, it has also been found in several other plant species. Besides being the only compound in its family to display a digitalis-like action in the cat heart, rhodexin A is also active against human leukemia K562 cells. Indeed, it is one of a series of cardiac glycosides that have potent antiproliferative activity, which has been attributed to their ability to inhibit synthesis of hypoxia inducible factor 1 (HIF-1-alpha)  (A3241, A3242).</description>
  <cas>545-49-3</cas>
  <pubchem-id>441868</pubchem-id>
  <chemical-formula>C29H44O9</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Found in the leaves and roots of the Japanese evergreen Rhodea japonica, it has also been found in several other plant species.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:17:53Z</created-at>
  <updated-at type="dateTime">2026-05-21T00:37:49Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C08877</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])[C@]([H])(O)C[C@]12C)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O)C1=CC(=O)OC1</moldb-smiles>
  <moldb-formula>C29H44O9</moldb-formula>
  <moldb-inchi>InChI=1S/C29H44O9/c1-14-23(32)24(33)25(34)26(37-14)38-17-6-8-27(2)16(11-17)4-5-19-22(27)20(30)12-28(3)18(7-9-29(19,28)35)15-10-21(31)36-13-15/h10,14,16-20,22-26,30,32-35H,4-9,11-13H2,1-3H3/t14-,16+,17-,18+,19+,20+,22+,23-,24+,25+,26-,27-,28+,29-/m0/s1</moldb-inchi>
  <moldb-inchikey>HFMLTKBZNAPPNY-CEKKCSHUSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">536.6543</moldb-average-mass>
  <moldb-mono-mass type="decimal">536.298533006</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>390444</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003075</chemdb-id>
  <dsstox-id>DTXSID301318334</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00093822</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>145.91</moldb-polar-surface-area>
  <moldb-refractivity>136.10270000000003</moldb-refractivity>
  <moldb-polarizability>58.15579198982565</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>8</moldb-acceptor-count>
  <moldb-donor-count>5</moldb-donor-count>
  <moldb-pka-strongest-acidic>7.181446972867483</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.8443196870610494</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>6</moldb-number-of-rings>
  <moldb-alogps-logp>0.62</moldb-alogps-logp>
  <moldb-alogps-logs>-3.20</moldb-alogps-logs>
  <moldb-alogps-solubility>3.41e-01 g/l</moldb-alogps-solubility>
</compound>
