FXK
1~{H}-indol-3-ylmethanol
| Created: | 2018-08-13 |
| Last modified: | 2021-05-19 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 20 |
| Chiral Atom Count | 0 |
| Bond Count | 21 |
| Aromatic Bond Count | 10 |
Chemical Component Summary | |
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| Name | 1~{H}-indol-3-ylmethanol |
| Systematic Name (OpenEye OEToolkits) | 1~{H}-indol-3-ylmethanol |
| Formula | C9 H9 N O |
| Molecular Weight | 147.174 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | OCc1c[nH]c2ccccc12 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(c[nH]2)CO |
| Canonical SMILES | CACTVS | 3.385 | OCc1c[nH]c2ccccc12 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(c[nH]2)CO |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2 |
| InChIKey | InChI | 1.03 | IVYPNXXAYMYVSP-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB12881 |
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| Name | Indole-3-carbinol |
| Groups | investigational |
| Description | Indole 3 Carbinol is under investigation in clinical trial NCT00033345 (Indole-3-Carbinol in Preventing Breast Cancer in Nonsmoking Women Who Are at High Risk For Breast Cancer). |
| Synonyms | Indole-3-carbinol |
| Categories |
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| CAS number | 700-06-1 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 3712 |
| ChEMBL | CHEMBL155625 |
| ChEBI | CHEBI:24814 |
| CCDC/CSD | QULGUB01 |
