(-)-Usnic Acid
PubChem CID: 442614
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| Compound Synonyms | (+)-Usnic acid, 7562-61-0, (+)-Usniacin, (S)-Usnic acid, (-)-Usnic acid, CHEBI:122, d-Usnic acid, MFCD00016878, (9bR)-2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-3(9bH)-one, (+)-Usnic acid from Usnea dasypoga, USNIC ACID, L-, USNIC ACID, (S)-, (S)-(-)-USNIC ACID, 5HYW08F205, (9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one, NSC-5889, (R)-1,1'-(1,7,9-trihydroxy-8,9b-dimethyl-3-oxo-3,9b-dihydrodibenzo[b,d]furan-2,6-diyl)diethanone, usniacin-(+), 2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione, (9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one, 1(9BH)-DIBENZOFURANONE, 2,6-DIACETYL-3,7,9-TRIHYDROXY-8,9B-DIMETHYL-, (9BS)-, 1(9BH)-DIBENZOFURANONE, 2,6-DIACETYL-3,7,9-TRIHYDROXY-8,9B-DIMETHYL-, (S)-, 882883-26-3, DTXSID001019955, (9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo(b,d)furan-1(9bH)-one, MLS006011829, CHEMBL461903, (+)-Usniacin (D-Usnic acid), 2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one, CHEMBL1454474, SCHEMBL10076307, SCHEMBL14029477, DTXSID40977181, ICTZCAHDGHPRQR-GOSISDBHSA-N, WEYVVCKOOFYHRW-GOSISDBHSA-N, HMS3655H16, ALBB-015483, TNP00338, BDBM50232841, LMPK13060002, s2252, STK523900, AKOS005174867, CCG-208150, CCG-208515, FU52510, (9aR)-4,8-diacetyl-1,3,9-trihydroxy-2,9a-dimethyl-7-oxo-9a-hydrobenzo[2,1-d]be nzo[b]furan, SMP1_000308, NCGC00017388-01, NCGC00017388-02, NCGC00017388-03, NCGC00017388-05, NCGC00017388-08, NCGC00142542-01, NCGC00142542-02, SID124883179, SMR003325592, SW219509-1, Q27105250, 3(9bH)-dibenzofuranone, 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-, (9bR)-, (2R)-4,10-diacetyl-3,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0(2),?]trideca-1(9),3,6,10,12-pentaen-5-one, (2R)-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 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a., Q03164, P38398, Q9NUW8, P00352, P16050, P15917, P08684, P11712 |
| Iupac Name | (9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT157, NPT50, NPT94, NPT792, NPT109, NPT212 |
| Xlogp | 2.1 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WEYVVCKOOFYHRW-GOSISDBHSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -2.886 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.752 |
| Compound Name | (-)-Usnic Acid |
| 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 | -3.3559778000000002 |
| 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-/m1/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 Astragalus Pectinatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Calypogeia Integristipula (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cirsium Brevistylum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Coffea Pseudozanguebariae (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Desmodium Oxyphyllum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Euonymus Alatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Fleischmannia Hymenophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Medicago Falcata (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Pilosella Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Putterlickia Verrucosa (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Roystonea Regia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Solanum Coccineum (Plant) Rel Props:Source_db:npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Usnea Longissima (Plant) Rel Props:Source_db:npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Vernonia Condensata (Plant) Rel Props:Source_db:cmaup_ingredients