Bombamalone B
PubChem CID: 23642716
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| Compound Synonyms | BOMBAMALONE B, 3-hydroxy-3,10,10,13-tetramethyl-6,11-dioxatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2(7),4,8,12-pentaene-14,15-dione, 3-hydroxy-3,10,10,13-tetramethyl-6,11-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),4,8,12-pentaene-14,15-dione, CHEMBL249663, 10-hydroxy-3,5,5,10-tetramethylbenzofuro(4,3-fg)chromene-1,2(5h,10h)-dione, 953793-04-9 |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | VMMFPHJFSTXENR-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Compound Name | Bombamalone B |
| Exact Mass | 312.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 673.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.3 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-3,10,10,13-tetramethyl-6,11-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),4,8,12-pentaene-14,15-dione |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C18H16O5/c1-8-14(19)15(20)12-11-9(17(2,3)23-16(8)11)7-10-13(12)18(4,21)5-6-22-10/h5-7,21H,1-4H3 |
| Smiles | CC1=C2C3=C(C4=C(C=C3C(O2)(C)C)OC=CC4(C)O)C(=O)C1=O |
| Xlogp | 1.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C18H16O5 |
- 1. Outgoing r'ship
FOUND_INto/from Bombax Malabaricum (Plant) Rel Props:Source_db:npass_chem_all