37224 <common-name>Lumisterol 3</common-name> <description>Lumisterol 3 belongs to the cholestane steroids, a subclass of steroids and steroid derivatives within the organic compounds. It has the chemical formula C27H44O and an average molecular weight of 384.64 g/mol. This compound is classified as a lipid and lipid-like molecule.</description> <cas>5226-01-7</cas> <pubchem-id nil="true"/> <chemical-formula>C27H44O</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">2016-05-26T07:14:57Z</created-at> <updated-at type="dateTime">2026-04-05T18:46:07Z</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][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C</moldb-smiles> <moldb-formula>C27H44O</moldb-formula> <moldb-inchi>InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25-,26-,27-/m1/s1</moldb-inchi> <moldb-inchikey>UCTLRSWJYQTBFZ-XMVWLVNMSA-N</moldb-inchikey> <moldb-average-mass type="decimal">384.6377</moldb-average-mass> <moldb-mono-mass type="decimal">384.33921603</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>CHEM036119</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00081424</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>20.23</moldb-polar-surface-area> <moldb-refractivity>121.46649999999998</moldb-refractivity> <moldb-polarizability>49.925206486825644</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>18.270805421445605</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.3681497086596925</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>7.30</moldb-alogps-logp> <moldb-alogps-logs>-6.41</moldb-alogps-logs> <moldb-alogps-solubility>1.48e-04 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Steroids and steroid derivatives</klass> <subklass>Cholestane steroids</subklass> <paper-count type="integer">25380</paper-count> <sync-id>CED0002011</sync-id> <structure-inchikey>UCTLRSWJYQTBFZ-XMVWLVNMSA-N</structure-inchikey> <structure-fingerprint>48800000040000000000800000000000000020000000000000000000010010000000001000000000000200000000000000000200000000000000000040000080000000000000000000020000000000000000000002000010000000001000400001000000010000000000200000000000000000520000000000000000000000100000000048000000000000000000000000200000000008000000000040400020000000200004000000000000080000000000000000000100040000000020000000000000000000000000000000004000000000040000000000000000000000000000800000000100080040080000010000000003000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€�� 4��������`�������`������ 4��������(�������h��������h��������(�������`������ 4��������`�������`�������`������ $�������`������ 4��������`�������`������ $�������`������ 4��������`�������`�������`�������`�������`�������`�������`��������������������(��� ��(����� � � ������ � �� ����������������������������������������������� ��B�������������� ���� �� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:11:12Z</structure-indexed-at> </compound>