Rosmaridiphenol
PubChem CID: 9905016
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| Compound Synonyms | Rosmaridiphenol, 91729-95-2, 14,15-dihydroxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one, 14,15-dihydroxy-7,7-dimethyl-13-(propan-2-yl)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),12,14-trien-2-one, 14,15-dihydroxy-7,7-dimethyl-13-(propan-2-yl)tricyclo(9.4.0.0^(3,8))pentadeca-1(11),12,14-trien-2-one, 14,15-dihydroxy-7,7-dimethyl-13-propan-2-yltricyclo(9.4.0.03,8)pentadeca-1(15),11,13-trien-2-one, SCHEMBL20733401, DTXSID901316936 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Description | Constituent of the leaves of Rosmarinus officinalis (rosemary). Rosmaridiphenol is found in herbs and spices and rosemary. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14,15-dihydroxy-7,7-dimethyl-13-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one |
| Nih Violation | False |
| Class | Benzene and substituted derivatives |
| Xlogp | 5.9 |
| Superclass | Benzenoids |
| Is Pains | True |
| Subclass | Cumenes |
| Molecular Formula | C20H28O3 |
| Inchi Key | WIEOUDNBMYRSRD-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | Rosmaridiphenol |
| Substituent Name | Cumene, Aryl alkyl ketone, Aryl ketone, 1,2-diphenol, Vinylogous acid, Ketone, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homopolycyclic compound |
| Compound Name | Rosmaridiphenol |
| Kingdom | Organic compounds |
| Exact Mass | 316.204 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 316.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 316.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Inchi | InChI=1S/C20H28O3/c1-11(2)14-10-12-7-8-15-13(6-5-9-20(15,3)4)17(21)16(12)19(23)18(14)22/h10-11,13,15,22-23H,5-9H2,1-4H3 |
| Smiles | CC(C)C1=C(C(=C2C(=C1)CCC3C(C2=O)CCCC3(C)C)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all