Dehydrocannabifuran
PubChem CID: 59444381
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dehydrocannabifuran, DCBF, 56154-59-7, 7TZQ3C9VKS, 6-Methyl-9-isopropenyl-3-pentyldibenzofuran-1-ol, 1-Dibenzofuranol, 6-methyl-9-(1-methylethenyl)-3-pentyl-, UNII-7TZQ3C9VKS, 10-Methyl-5-pentyl-13-(prop-1-en-2-yl)-8-oxatricyclo(7.4.0.0(2,7))trideca-1(13),2(7),3,5,9,11-hexaen-3-ol, SCHEMBL13214162, DTXSID80732059, 6-Methyl-3-pentyl-9-(prop-1-en-2-yl)dibenzo[b,d]furan-1-ol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 33.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Deep Smiles | CCCCCcccO)ccc6)occ5cccc6C))))C=C)C |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Benzofurans |
| Scaffold Graph Node Level | C1CCC2C(C1)OC1CCCCC12 |
| Classyfire Subclass | Dibenzofurans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methyl-3-pentyl-9-prop-1-en-2-yldibenzofuran-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 7.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H24O2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)oc1ccccc12 |
| Inchi Key | NAGBBYZBIQVPIQ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | dehydrocannabifuran |
| Esol Class | Poorly soluble |
| Functional Groups | cC(=C)C, cO, coc |
| Compound Name | Dehydrocannabifuran |
| Exact Mass | 308.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 308.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C21H24O2/c1-5-6-7-8-15-11-17(22)20-18(12-15)23-21-14(4)9-10-16(13(2)3)19(20)21/h9-12,22H,2,5-8H2,1,3-4H3 |
| Smiles | CCCCCC1=CC(=C2C(=C1)OC3=C(C=CC(=C23)C(=C)C)C)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Cannabis Sativa (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/18283614