118537 <common-name>4,14,15,16,20-Pentahydroxy-4,9-epoxycevan-3-yl 4-hydroxy-3-methoxybenzoate (Vanilloylzygadenine)</common-name> <description nil="true"/> <cas>67370-01-8</cas> <pubchem-id>49830</pubchem-id> <chemical-formula>C35H49NO10</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">2026-04-06T01:47:25Z</created-at> <updated-at type="dateTime">2026-05-21T01:21:27Z</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 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]C12C[C@]34O[C@]5(O)C([H])(CCC3([H])[C@]1(O)[C@@]([H])(O)[C@]([H])(O)C1([H])C2([H])CN2C[C@@]([H])(C)CC[C@@]2([H])C1(C)O)[C@]4(C)CC[C@]5([H])OC(=O)C1=CC(OC)=C(O)C=C1</moldb-smiles> <moldb-formula>C35H49NO10</moldb-formula> <moldb-inchi>InChI=1S/C35H49NO10/c1-17-5-10-25-32(3,41)27-19(16-36(25)15-17)20-14-33-24(34(20,42)29(39)28(27)38)9-8-23-31(33,2)12-11-26(35(23,43)46-33)45-30(40)18-6-7-21(37)22(13-18)44-4/h6-7,13,17,19-20,23-29,37-39,41-43H,5,8-12,14-16H2,1-4H3/t17-,19?,20?,23?,24?,25-,26-,27?,28+,29-,31-,32?,33-,34-,35+/m0/s1</moldb-inchi> <moldb-inchikey>NIEIJAOPLMFSMK-IQOHJQIWSA-N</moldb-inchikey> <moldb-average-mass type="decimal">643.774</moldb-average-mass> <moldb-mono-mass type="decimal">643.3356468</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>45193</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 nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM114430</chemdb-id> <dsstox-id>DTXSID80986651</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00094261</susdat-id> <iupac>(3S,5xi,8xi,12xi,13xi,17xi)-4beta,14,15alpha,16beta,20-Pentahydroxy-9beta,20xi-4,9-epoxycevan-3-yl 4-hydroxy-3-methoxybenzoate</iupac> <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>