Brasilixanthone B
PubChem CID: 5324261
Connections displayed (default: 10).
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| Compound Synonyms | Brasilixanthone B, 84002-57-3, Cyclodehydrogarcinone-B, DTXSID70415900, 10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,10,14,16(21),19-octaen-2-one, 1,6-Dihydroxy-6',6'-dimethylpyrano(2',3':2,3)-6'',6''-dimethylpyrano(2'',3'':7,8)xanthone, 10H-dipyrano[2,3-i:3',2'-a]xanthen-14(3H)-one, 5,13-dihydroxy-3,3,10,10-tetramethyl-, 5,13-dihydroxy-3,3,10,10-tetramethyl-10H-dipyrano[2,3-i:3',2'-a]xanthen-14(3H)-one, 5,13-Dihydroxy-3,3,10,10-tetramethyl-3H,10H-4,7,9-trioxa-benzo[a]naphthacen-14-one, 10H-dipyrano(2,3-i:3',2'-a)xanthen-14(3H)-one, 5,13-dihydroxy-3,3,10,10-tetramethyl-, 5,13-dihydroxy-3,3,10,10-tetramethyl-10H-dipyrano(2,3-i:3',2'-a)xanthen-14(3H)-one, 5,13-Dihydroxy-3,3,10,10-tetramethyl-3H,10H-4,7,9-trioxa-benzo(a)naphthacen-14-one, 10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo(12.8.0.03,12.04,9.016,21)docosa-1(22),3(12),4(9),5,10,14,16(21),19-octaen-2-one, DTXCID50366749, AKOS040734260 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 754.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10,22-dihydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,10,14,16(21),19-octaen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C23H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CPBXNYZFGKIZDX-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -2.815 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.869 |
| Compound Name | Brasilixanthone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 392.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 392.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.899864779310346 |
| Inchi | InChI=1S/C23H20O6/c1-22(2)7-5-11-14(28-22)10-16-18(19(11)25)20(26)17-12-6-8-23(3,4)29-21(12)13(24)9-15(17)27-16/h5-10,24-25H,1-4H3 |
| Smiles | CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C=C(C5=C4C=CC(O5)(C)C)O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aster Bellidiastrum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Dryopteris Crenata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Durio Zibethinus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Garcinia Mangostana (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Halimodendron Halodendron (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ixora Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Lonicera Hypoleuca (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Micromelum Minutum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Nicotiana Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Senecio Vellereus (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Serpocaulon Triseriale (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Wibelia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients