Cannabichromene
PubChem CID: 30219
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| Compound Synonyms | CANNABICHROMENE, Cannabichrome, 20675-51-8, Cannanbichromene, Pentylcannabichromene, Cannabinochromene, (+/-)-Cannabichromene, 2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol, K4497H250W, NSC-291831, 2-Methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2H-1-benzopyran-5-ol, 2H-1-Benzopyran-5-ol, 2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-, CHEBI:3357, CHEMBL422704, CBC, 2-Methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromen-5-ol, DTXSID80942873, 2-methyl-2-(4-methylpent-3-enyl)-7-pentyl-chromen-5-ol, 01 - Active ingredients, 2H-1-Benzopyran-5-ol, 2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-, 18793-28-7, 2-METHYL-2-(4-METHYLPENT-3-ENYL)-7-PENTYL-5-CHROMENOL, Cannabichchromene, UNII-K4497H250W, Cannabichromene (CBC), 2-Methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-2H-chromen-5-ol, (.+/-.)-Cannabichromene, SCHEMBL144938, (+/-)-Cannabichromene (CBC), GTPL11093, DTXCID801371258, Cannabichromene, 1mg/ml in Methanol, 10 - Analysis of active ingredients, 11 - Analysis of active ingredients, BDBM50318486, MFCD00869598, NSC291831, AKOS032948832, DB14735, FS-9539, 2H-1-Benzopyran-5-ol, (.+-.)-, FC172559, SY326619, NS00018065, C08998, Cannabichromene - 20 mg/ml solution in methanol, Cannabichromene (CBC) 100 microg/mL in Methanol, Q410949, Cannabichromene (CBC) 1000 microg/mL in Methanol, Cannabichromene (CBC) 250 microg/mL in Acetonitrile, 2-Methyl-2-(4-methyl-3-pentenyl)-7-pentyl-2H-chromen-5-ol, 2-methyl-2-(4-methyl-3-penten-1-yl)-7-pentyl-2H-1-benzopyran-5-ol, 2-Methyl-2-(4-methyl-pent-3-enyl)-7-pentyl-2H-chromen-5-ol(cannabichromene), 2H-1-Benzopyran-5-ol, 2-methyl-2-(4-methyl-3-pentenyl)-7-pentyl-, (.+/-.)-, 809-024-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C1 |
| Np Classifier Class | Cannabinoids |
| Deep Smiles | CCCCCcccOCC)CCC=CC)C)))))C=Cc6cc%10)O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | C1CCC2OCCCC2C1 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 422.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P21554, Q6RI86, P97612, Q9Y4D2, P34972, Q02083, P37231 |
| Iupac Name | 2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromen-5-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT1287, NPT232 |
| Xlogp | 6.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H30O2 |
| Scaffold Graph Node Bond Level | C1=Cc2ccccc2OC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UVOLYTDXHDXWJU-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.5238095238095238 |
| Logs | -6.274 |
| Rotatable Bond Count | 7.0 |
| Logd | 5.34 |
| Synonyms | cannabichromane, cannabichrome, cannabichromene |
| Esol Class | Moderately soluble |
| Functional Groups | CC=C(C)C, cC=CC, cO, cOC |
| Compound Name | Cannabichromene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 314.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -5.84255127826087 |
| Inchi | InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3 |
| Smiles | CCCCCC1=CC(=C2C=CC(OC2=C1)(C)CCC=C(C)C)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Polyketides, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Meroterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Handelia Trichophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Tanacetum Parthenium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all