<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4109</id>
  <title>T3D4055</title>
  <common-name>Vindoline</common-name>
  <description>Vindoline is a chemical precursor to vinblastine.</description>
  <cas></cas>
  <pubchem-id>260535</pubchem-id>
  <chemical-formula>C25H32N2O6</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 nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T04:59:09Z</created-at>
  <updated-at type="dateTime">2026-05-20T21:30:35Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C01626</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@@]12N(C)C3=C(C=CC(OC)=C3)[C@@]11CCN3CC=C[C@](CC)([C@@]13[H])[C@@]([H])(OC(C)=O)[C@]2(O)C(=O)OC</moldb-smiles>
  <moldb-formula>C25H32N2O6</moldb-formula>
  <moldb-inchi>InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1</moldb-inchi>
  <moldb-inchikey>CXBGOBGJHGGWIE-ACSXSLCXSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">456.5314</moldb-average-mass>
  <moldb-mono-mass type="decimal">456.226036766</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL2001832</chembl-id>
  <chemspider-id>228680</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>CHEM003015</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00018366</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>88.54000000000002</moldb-polar-surface-area>
  <moldb-refractivity>122.29809999999996</moldb-refractivity>
  <moldb-polarizability>47.71757479788246</moldb-polarizability>
  <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count>
  <moldb-acceptor-count>6</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>10.868158007477678</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>8.673438058558657</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>5</moldb-number-of-rings>
  <moldb-alogps-logp>2.53</moldb-alogps-logp>
  <moldb-alogps-logs>-3.07</moldb-alogps-logs>
  <moldb-alogps-solubility>3.92e-01 g/l</moldb-alogps-solubility>
</compound>
