Bangangxanthone B
PubChem CID: 11536905
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| Compound Synonyms | Bangangxanthone B, 1,4,8-trihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one, 869648-17-9 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 484.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4,8-trihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C18H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZXAITARLYXDVLJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.267 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.792 |
| Compound Name | Bangangxanthone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.194424982608696 |
| Inchi | InChI=1S/C18H16O5/c1-9(2)6-7-10-8-12(20)18-15(16(10)21)17(22)14-11(19)4-3-5-13(14)23-18/h3-6,8,19-21H,7H2,1-2H3 |
| Smiles | CC(=CCC1=CC(=C2C(=C1O)C(=O)C3=C(C=CC=C3O2)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Polyantha (Plant) Rel Props:Source_db:cmaup_ingredients