90647 <common-name>Methyl [3S-(3a,3aa,6a,8aa)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate</common-name> <description>Methyl [3S-(3a,3aa,6a,8aa)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylate belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds. This compound has the formula C16H24O2 and an average molecular weight of 248.37 g/mol. It is further classified under the superclass of lipids and lipid-like molecules.</description> <cas nil="true"/> <pubchem-id>86739</pubchem-id> <chemical-formula>C16H24O2</chemical-formula> <weight>248.36</weight> <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">2026-04-05T00:24:41Z</created-at> <updated-at type="dateTime">2026-08-28T21:05:37Z</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>COC(=O)[C@H]1CC[C@@H]2C(=C)C(C)(C)[C@@H]3CC[C@]12C3</moldb-smiles> <moldb-formula>C16H24O2</moldb-formula> <moldb-inchi>InChI=1/C16H24O2/c1-10-12-5-6-13(14(17)18-4)16(12)8-7-11(9-16)15(10,2)3/h11-13H,1,5-9H2,2-4H3</moldb-inchi> <moldb-inchikey>DZVKVIGAEDEAIN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">248.366</moldb-average-mass> <moldb-mono-mass type="decimal">248.17763</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4</logp> <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>CHEM086540</chemdb-id> <dsstox-id>DTXSID30885044</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00051769</susdat-id> <iupac>methyl 7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylate</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"/> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Sesquiterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0082297</sync-id> <structure-inchikey>DZVKVIGAEDEAIN-BRXULGCHSA-N</structure-inchikey> <structure-fingerprint>102000000000000000000080000000000000000800080000000000000000000000000000000000000000000000000000000000000000000000000000000082000000000000000800000000000020000203000100000000000000000000000000010000000040000000000000000000020000000000000040000000900000000048000000000008000000000080200000400000000000000000200020008001000004000000000200080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000400008002000000000000000000000800</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(������ 4��������`�������`������ 4��������(�������h�������� ������`�������`������ 4��������`�������`������ $�������`����������� ��(����������������� ��� � �� �� � ������������������ �B������������ ����� �������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:33:21Z</structure-indexed-at> </compound>