Usnic acid, (R)-
PubChem CID: 478125
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| Compound Synonyms | (R)-Usnic acid, (+)-Usnic acid, d-Usninic acid, Usnic acid, D-, Usnic acid, (R)-, d-Usnic acid, (R)-(+)-Usnic acid, 7562-61-0, (-)-Usnic acid, (+)-Usninic acid, CHEBI:38320, NSC 5890, EINECS 231-456-0, NSC-685596, USNIC ACID, (+)-, 1,3(2H,9bH)-dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-, (9bR)-, USNIC ACID D-FORM [MI], NSC-5890, 663456969I, 3(9bH)-dibenzofuranone, 2,6-diacetyl-8,9b-dimethyl-1,7,9-trihydroxy-, D-, (9bR)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one, (9bR)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-(2H,9bH)-dibenzofuran-1,3-dione, (+)-Usniacin, 1(9BH)-DIBENZOFURANONE, 2,6-DIACETYL-3,7,9-TRIHYDROXY-8,9B-DIMETHYL-, (9BR)-, 1(9BH)-DIBENZOFURANONE, 2,6-DIACETYL-3,7,9-TRIHYDROXY-8,9B-DIMETHYL-, (R)-, 3(9bH)-DIBENZOFURANONE, 2,6-DIACETYL-1,7,9-TRIHYDROXY-8,9b-DIMETHYL-, D-, CHEMBL242022, DTXSID001019955, (9bR)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo(b,d)furan-1(9bH)-one, (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one, (R)-2,6-Diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-9bH-dibenzofuran-1-one, UNII-663456969I, USNIC ACID D-FORM, Usnic acid, (R)-(8CI), SCHEMBL177775, 2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one, CHEMBL4803064, (+)-Usnic acid, (+)-Usniacin, DTXCID901477815, GLXC-13506, BDBM50202829, AKOS032948335, PD143629, EN300-18532942, Q27888211, Z3301414441, (9bR)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-dibenzofuran-1-one, (2S)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0,2,7]trideca-1(13),3,6,9,11-pentaen-5-one, (S)-1,1'-(1,7,9-trihydroxy-8,9b-dimethyl-3-oxo-3,9b-dihydrodibenzo[b,d]furan-2,6-diyl)diethanone, 231-456-0 |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 734.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (9bR)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT178, NPT2266 |
| Xlogp | 2.1 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WEYVVCKOOFYHRW-SFHVURJKSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -2.771 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.659 |
| Compound Name | Usnic acid, (R)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2757778 |
| Inchi | InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3/t18-/m0/s1 |
| Smiles | CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Boenninghausenia Sessilicarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Corsinia Coriandrina (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Euonymus Alatus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Helleborus Niger (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Scabiosa Tschiliensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Vanilla Planifolia (Plant) Rel Props:Source_db:cmaup_ingredients