<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">141490</id>
  <title nil="true"/>
  <common-name>Ruclosporin</common-name>
  <description nil="true"/>
  <cas>882569-97-3</cas>
  <pubchem-id nil="true"/>
  <chemical-formula>C68H122N12O14</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <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 nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-15T17:52:52Z</created-at>
  <updated-at type="dateTime">2026-05-14T20:43:08Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB21199</drugbank-id>
  <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([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](OCCN2CCOCC2)N(C)C(=O)[C@H](CC)NC1=O)C(C)C</moldb-smiles>
  <moldb-formula>C68H122N12O14</moldb-formula>
  <moldb-inchi>InChI=1S/C68H122N12O14/c1-25-27-28-45(15)56(81)55-60(85)71-48(26-2)62(87)79(24)68(94-34-31-80-29-32-93-33-30-80)67(92)74(19)50(36-40(5)6)59(84)72-53(43(11)12)65(90)73(18)49(35-39(3)4)58(83)69-46(16)57(82)70-47(17)61(86)75(20)51(37-41(7)8)63(88)76(21)52(38-42(9)10)64(89)77(22)54(44(13)14)66(91)78(55)23/h25,27,39-56,68,81H,26,28-38H2,1-24H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b27-25+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55-,56-,68-/m1/s1</moldb-inchi>
  <moldb-inchikey>DZAWKZBRQVCGKX-ASXKUNBESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">1331.794</moldb-average-mass>
  <moldb-mono-mass type="decimal">1330.920346656</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM137383</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac nil="true"/>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
</compound>
