Procerin
PubChem CID: 594578
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| Compound Synonyms | Procerin, Procerin [MI], Procerin (tropolone), 552-96-5, UNII-GE92PBK71X, GE92PBK71X, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(3-methyl-2-buten-1-yl)-4-(1-methylethenyl)-, 2-Hydroxy-5-(3-methyl-2-butenyl)-4-(1-methylethenyl)-2,4,6-cycloheptatrien-1-one, DTXSID30344126, 2-hydroxy-5-(3-methylbut-2-enyl)-6-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(3-methyl-2-butenyl)-4-(1-methylethenyl)-, SCHEMBL5437835, DTXCID90295201, Q27279055, 2-Hydroxy-4-isopropenyl-5-(3-methyl-2-butenyl)-2,4,6-cycloheptatrien-1-one #, 2-Hydroxy-5-(3-methylbut-2-en-1-yl)-6-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one, 2-hydroxy-5-(3-methylbut-2-enyl)-4-(prop-1-en-2-yl)cyclohepta-2,4,6-trienone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCCC1 |
| Np Classifier Class | Tetraketide meroterpenoids |
| Deep Smiles | CC=CCccccc=O)cc7C=C)C)))))O)))))))C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Tropones |
| Scaffold Graph Node Level | OC1CCCCCC1 |
| Classyfire Subclass | Tropolones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 467.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-5-(3-methylbut-2-enyl)-6-prop-1-en-2-ylcyclohepta-2,4,6-trien-1-one |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbon derivatives |
| Xlogp | 3.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H18O2 |
| Scaffold Graph Node Bond Level | O=c1cccccc1 |
| Inchi Key | JGONUWOERJCFMF-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | procerin |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C, c=O, cC(=C)C, cO |
| Compound Name | Procerin |
| Exact Mass | 230.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 230.3 |
| 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/C15H18O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9H,3,6H2,1-2,4H3,(H,16,17) |
| Smiles | CC(=CCC1=CC=C(C(=O)C=C1C(=C)C)O)C |
| Np Classifier Biosynthetic Pathway | Polyketides, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Meroterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Recurva (Plant) Rel Props:Reference:ISBN:9788172362461; ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Juniperus Squamata (Plant) Rel Props:Reference:ISBN:9788185042138