6288 <common-name>CLOVE BUD, OIL (EUGENIA SPP.)</common-name> <description>CLOVE BUD, OIL (EUGENIA SPP.) is an organic compound with the formula C7H12ClN3O2 and an average molecular weight of 205.64 g/mol. CLOVE BUD, OIL (EUGENIA SPP.) belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. In industrial applications, this compound is utilized as a fragrance, a humectant, and as a flavouring and nutrient. Regarding its biological activity, four protein targets have been recorded. Specifically, CLOVE BUD, OIL (EUGENIA SPP.) acts as an antagonist of the following: Vascular cell adhesion protein 1 (VCAM1), C-X-C motif chemokine 10 (CXCL10), Collagen alpha-1(I) chain (COL1A1), and Granulocyte-macrophage colony-stimulating factor receptor subunit alpha (CSF2RA).</description> <cas>8000-34-8</cas> <pubchem-id nil="true"/> <chemical-formula>C7H12ClN3O2</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">2016-05-19T01:58:59Z</created-at> <updated-at type="dateTime">2026-04-14T18:13:46Z</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>DB11338</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>Cl.[H][C@@](N)(CC1=CN=CN1)C(=O)OC</moldb-smiles> <moldb-formula>C7H12ClN3O2</moldb-formula> <moldb-inchi>InChI=1S/C7H11N3O2.ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;/h3-4,6H,2,8H2,1H3,(H,9,10);1H/t6-;/m1./s1</moldb-inchi> <moldb-inchikey>VEEIFXWJNCAVEQ-FYZOBXCZSA-N</moldb-inchikey> <moldb-average-mass type="decimal">205.64</moldb-average-mass> <moldb-mono-mass type="decimal">205.0618043</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>CHEM005183</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>81.0</moldb-polar-surface-area> <moldb-refractivity>42.8281</moldb-refractivity> <moldb-polarizability>16.965640598508184</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>12.92054236010566</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>7.162426012640764</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>-0.76</moldb-alogps-logp> <moldb-alogps-logs>-0.43</moldb-alogps-logs> <moldb-alogps-solubility>6.22e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0015171</sync-id> <structure-inchikey>VEEIFXWJNCAVEQ-FYZOBXCZSA-N</structure-inchikey> 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<structure-pattern-fingerprint>2001020e0008000000000820000090000000050000002000400000000c5000001000800000000001000480000004200080008c10010000443000a0000084110000001000804080102000620100000000104221003a00000420000009000c20040200400200200010105030020020008030010d600411180820001000020044000804400000080012008c08000810040002444010020004080000008004804300000000400000000800002c201042c002000001080008000010000002000000000404400a000080020000410200000008000040402000000004080000000000080000010004004000100008200000000010004000280000000050400002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAADAAAAIABEQBAAAAAAQYgNAAAAAIB BAcAYAAAAAECBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQdAKAAAAAMDBkBo AAAAAwMBB0A4AAAAAwEDBgAoAAAAAwQIACgAAAADAggAKAAAAAMCBgBgAAAA AQMLAQIAAQMAAwQABAVoDAUGaAwGB2gMBwhoDAEJAAkKKAIJCyALDAAIBGgM QgEAAAAFBAUGBwgXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:16Z</structure-indexed-at> </compound>