Dendrolasin
PubChem CID: 5316534
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| Compound Synonyms | Dendrolasin, Denderalasin, 23262-34-2, Dendrasaline, 3-(4,8-Dimethyl-3,7-nonadienyl)furan, Furan, 3-(4,8-dimethyl-3,7-nonadienyl)-, (E)-, 3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan, 3-(4,8-Dimethyl-3,7-nonadienyl)-Furan, Furan, 3-(4,8-dimethyl-3,7-nonadienyl)-, 3-(4,8-Dimethyl-3,7-nonadienyl)furan, 9CI, 3-[(3E)-4,8-Dimethyl-3,7-nonadienyl]furan, 3-(4,8-Dimethyl-3,7-nonadienyl)-(E)-Furan, 3-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]furan, 3-((3E)-4,8-Dimethyl-3,7-nonadienyl)furan, 3-((3E)-4,8-dimethylnona-3,7-dienyl)furan, 3-((3E)-4,8-dimethylnona-3,7-dien-1-yl)furan, SCHEMBL11886113, CHEBI:80721, DTXSID501318273, AKOS015905136, (e)-3-(4,8-dimethyl-3,7-nonadienyl)-furan, 3-[(3E)-4,8-Dimethyl-3,7-nonadienyl]furan #, 3-[(3E)-4,8-dimethyl-nona-3,7-dienyl]-furan, Q27149763 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | C/C=CCCccocc5))))))))/CCC=CC)C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Description | Constituent of sweet potato. Dendrolasin is found in root vegetables. |
| Scaffold Graph Node Level | C1CCOC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 246.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H22O |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LZBXPXAOYQVZEC-RIYZIHGNSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.4666666666666667 |
| Logs | -5.406 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.877 |
| Synonyms | 3-(4,8-Dimethyl-3,7-nonadienyl)-(e)-furan, 3-(4,8-Dimethyl-3,7-nonadienyl)-furan, 3-(4,8-Dimethyl-3,7-nonadienyl)furan, 3-(4,8-Dimethyl-3,7-nonadienyl)furan, 9CI, 3-[(3E)-4,8-Dimethyl-3,7-nonadienyl]furan, Denderalasin, Dendrasaline, Furan, 3-(4,8-dimethyl-3,7-nonadienyl)-, Furan, 3-(4,8-dimethyl-3,7-nonadienyl)-, (E)-, 3-(4,8-Dimethyl-3,7-nonadienyl)furan, 9ci, denderalasin, dendrolasin |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C(/C)C, CC=C(C)C, coc |
| Compound Name | Dendrolasin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -4.223058 |
| Inchi | InChI=1S/C15H22O/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-16-12-15/h6,8,10-12H,4-5,7,9H2,1-3H3/b14-8+ |
| Smiles | CC(=CCC/C(=C/CCC1=COC=C1)/C)C |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Aromatic monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
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