Methyl 9-(acetyloxymethyl)-5,7-dihydroxy-2,2-dimethyl-6,11-dioxonaphtho[3,2-g]chromene-8-carboxylate
PubChem CID: 24814168
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| Topological Polar Surface Area | 136.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 877.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 9-(acetyloxymethyl)-5,7-dihydroxy-2,2-dimethyl-6,11-dioxonaphtho[3,2-g]chromene-8-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C24H20O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UUSLDKSHVISGDD-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.053 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.667 |
| Compound Name | Methyl 9-(acetyloxymethyl)-5,7-dihydroxy-2,2-dimethyl-6,11-dioxonaphtho[3,2-g]chromene-8-carboxylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 452.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 452.111 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 452.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.927663909090911 |
| Inchi | InChI=1S/C24H20O9/c1-10(25)32-9-11-7-13-18(21(28)16(11)23(30)31-4)22(29)17-14(19(13)26)8-15-12(20(17)27)5-6-24(2,3)33-15/h5-8,27-28H,9H2,1-4H3 |
| Smiles | CC(=O)OCC1=CC2=C(C(=C1C(=O)OC)O)C(=O)C3=C(C4=C(C=C3C2=O)OC(C=C4)(C)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vismia Laurentii (Plant) Rel Props:Source_db:cmaup_ingredients