Boeravinone B
PubChem CID: 14018348
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | boeravinone B, 114567-34-9, 6,9,11-trihydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one, [1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 6,9,11-trihydroxy-10-methyl-, 10-Methyl-6,9,11-trihydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 6,9,11-Trihydroxy-10-methyl-6a,12a-dehydroretenoid, 6a,12a-Dehydro-6,9,11-trihydroxy-10-methylrotenone, boeravinoneB, 6,9,11-trihydroxy-10-methyl-6H-chromeno(3,4-b)chromen-12-one, CHEMBL376240, SCHEMBL3320676, Boeravinone B, analytical standard, DTXSID101317716, HY-N2947, PEA56734, BDBM50492740, LMPK12060073, AKOS040762674, DA-71672, MS-24546, CS-0023573, F92876, B0005-477333, [1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 6,9,11-trihydroxy-10-methyl-, [1]Benzopyrano[3,4-b][1]benzopyran-12(6H)-one, 6,9,11-trihydroxy-10-methyl-, (+/-)-, 6,9,11-Trihydroxy-10-methyl[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one, Boeravinone B, Melavoid |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2CC2CCC3CCCCC3C21 |
| Np Classifier Class | Coumaronochromones, Rotenoids |
| Deep Smiles | OCOcccccc6-cc%10occcO)ccc6c%10=O)))O))C |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Isoflavonoids |
| Scaffold Graph Node Level | OC1C2CCCCC2OC2COC3CCCCC3C21 |
| Classyfire Subclass | Rotenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 543.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9UNQ0, P79208, P05979 |
| Iupac Name | 6,9,11-trihydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H12O6 |
| Scaffold Graph Node Bond Level | O=c1c2c(oc3ccccc13)COc1ccccc1-2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YVVDYYFGAWQOGB-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.156 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.117 |
| Synonyms | boeravinone b |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, cOC(c)O, coc |
| Compound Name | Boeravinone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 312.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.632800008695652 |
| Inchi | InChI=1S/C17H12O6/c1-7-9(18)6-11-13(14(7)19)15(20)12-8-4-2-3-5-10(8)23-17(21)16(12)22-11/h2-6,17-19,21H,1H3 |
| Smiles | CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3O)O |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Boerhavia Diffusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all