1.0 2010-04-08 22:04:46 UTC 2019-11-26 02:55:39 UTC FDB000939 1H-Indole-3-methanol Produced from glucosinolates in Brassica species on crushing or cooking. Potential nutriceutical 16082211).; Indole-3-carbinol is produced by members of the family Cruciferae and particularly members of the genus Brassica, for example, cabbage, radishes, cauliflower, broccoli, Brussels sprouts, and daikon). Indole-3-carbinol is metabolized to a number of products, including the dimeric 3,3'-diindolylmethane. Both 3,3'-diindolylmethane and Indole-3-carbinol are thought to have biological effects. Indole-3-carbinol is a natural chemopreventive compound. It has multiple anticarcinogenic and antitumorigenic properties by suppressing the proliferation of certain cancer cells, including breast cancer, prostate cancer, endometrial cancer, colon cancer, and leukemic cells (PMID: 16634522. 1H-Indole-3-methanol is found in many foods, some of which are broccoli, brassicas, cabbage, and brussel sprouts. 1H-indol-3-ylmethanol 1H-Indole-3-methanol (9CI) 3-(Hydroxymethyl)indole 3-Hydroxymethylindole 3-Indolecarbinol 3-Indolemethanol 3-indolylcarbinol 3-Indolylmethanol C9H9NO I3C cpd Indinol Indole-3-carbinol indole-3-methanol PREVENTION 4 (INDOLE-3-CARBINOL) C9H9NO 147.1739 147.068413915 (1H-indol-3-yl)methanol indole-3-carbinol 700-06-1 OCC1=CNC2=CC=CC=C12 InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2 IVYPNXXAYMYVSP-UHFFFAOYSA-N belongs to the class of organic compounds known as 3-alkylindoles. 3-alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. 3-alkylindoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Aromatic alcohols Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Primary alcohols Substituted pyrroles 3-alkylindole Alcohol Aromatic alcohol Aromatic heteropolycyclic compound Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pyrrole Substituted pyrrole an indole-phytolexin indolyl alcohol Solid logp 1.66 ALOGPS logs -1.59 ALOGPS solubility 3.75e+00 g/l ALOGPS melting_point Mp 158° logp 1.3 ChemAxon pka_strongest_acidic 15.1 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (1H-indol-3-yl)methanol ChemAxon average_mass 147.1739 ChemAxon mono_mass 147.068413915 ChemAxon smiles OCC1=CNC2=CC=CC=C12 ChemAxon formula C9H9NO ChemAxon inchi InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2 ChemAxon inchikey IVYPNXXAYMYVSP-UHFFFAOYSA-N ChemAxon polar_surface_area 36.02 ChemAxon refractivity 43.96 ChemAxon polarizability 15.87 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9002 Specdb::CMs 38886 Specdb::CMs 136395 Specdb::CMs 144129 Specdb::MsIr 2291 Specdb::MsIr 2292 Specdb::MsIr 2293 Specdb::NmrTwoD 1959 Specdb::NmrOneD 2024 Specdb::NmrOneD 61052 Specdb::NmrOneD 61053 Specdb::NmrOneD 61054 Specdb::NmrOneD 61055 Specdb::NmrOneD 61056 Specdb::NmrOneD 61057 Specdb::NmrOneD 61058 Specdb::NmrOneD 61059 Specdb::NmrOneD 61060 Specdb::NmrOneD 61061 Specdb::NmrOneD 61062 Specdb::NmrOneD 61063 Specdb::NmrOneD 61064 Specdb::NmrOneD 61065 Specdb::NmrOneD 61066 Specdb::NmrOneD 61067 Specdb::NmrOneD 61068 Specdb::NmrOneD 61069 Specdb::NmrOneD 61070 Specdb::NmrOneD 61071 Specdb::NmrOneD 166543 Specdb::MsMs 2442 Specdb::MsMs 2443 Specdb::MsMs 2444 Specdb::MsMs 263178 Specdb::MsMs 263179 Specdb::MsMs 263180 Specdb::MsMs 283110 Specdb::MsMs 283111 Specdb::MsMs 283112 Specdb::MsMs 445261 Specdb::MsMs 445262 Specdb::MsMs 445263 Specdb::MsMs 2243049 Specdb::MsMs 2834118 Specdb::MsMs 2834119 Specdb::MsMs 2834120 Specdb::MsMs 2871674 Specdb::MsMs 2871675 Specdb::MsMs 2871676 HMDB05785 24814 #<Reference:0x000055ce30553c60> #<Reference:0x000055ce30553aa8> Brassicas Unknown generic 3705 Broccoli Type 1 specific Brassica oleracea var. italica 36774 Brussel sprouts Type 1 specific Brassica oleracea var. gemmifera 178616 Cabbage Type 1 specific Brassica oleracea var. capitata 3716 White cabbage Type 1 specific Brassica oleracea L. var. capitata L. f. alba DC. Amphiestrogenic 51 Anti estrogenic 272 A substance that diminishes the rate of a chemical reaction. Anti metastatic 434 A substance that inhibits or prevents the proliferation of neoplasms. Anti proliferant 547 Anti-cancer 159 A substance that inhibits or prevents the proliferation of neoplasms. Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-lupus 410 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-papillomic 507 A substance that destroys or inhibits replication of viruses. Anti-respirotic 577 Anti-thyroid 654 Antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. Apoptotic 704 Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. Carcinogenic 762 A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. Chemopreventive 796 A substance that inhibits or prevents the proliferation of neoplasms. Cytochrome-p450 inducer 854 Detoxicant 877 Any protective agent counteracting or neutralizing the action of poisons. DNA-protective 887 Estrogenic 922 Genotoxic 950 A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells. Hepatoprotective 981 Any compound that is able to prevent damage to the liver. Mutagenic 1125 NF-kappa-B inhibitor 1164 A substance that diminishes the rate of a chemical reaction. Nitric-oxide inhibitor 1167 A substance that diminishes the rate of a chemical reaction. Quinone-reductase inducer 1277 Tumor promoter 1387 A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.