8-hydroxycannabinol
CNP0236523.0 · C21H26O3 · View on COCONUT ↗
Identifiers
| Name | 8-hydroxycannabinol |
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| IUPAC Name | 6,6,9-trimethyl-3-pentyl-benzo[c]chromene-1,8-diol |
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| COCONUT ID | CNP0236523.0 |
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| CAS | 53865-22-8 |
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| InChIKey | XUERFRQVGLONMR-UHFFFAOYSA-N |
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| InChI | InChI=1S/C21H26O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-12,22-23H,5-8H2,1-4H3 |
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| SMILES | CCCCCC1=CC(O)=C2C(=C1)OC(C)(C)C1=CC(O)=C(C)C=C12 |
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Properties
| Molecular Formula | C21H26O3 |
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| Molecular Weight | 326.44 |
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| Exact Mass | 326.18819 |
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| Log P (ALogP) | 5.43 |
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| TPSA | 49.69 |
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| H-Bond Donors / Acceptors | 2 / 3 |
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| Rotatable Bonds | 4 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.74 |
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| NP-likeness | 1.52 |
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Classification
| NP Pathway | Polyketides |
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| NP Superclass | Meroterpenoids |
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| NP Class | Cannabinoids |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Benzopyrans |
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| Chemical Subclass | 1-benzopyrans |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
