2-(2,3,4,7,8-Pentahydroxy-5,5-dimethyl-2,3,4,4a-tetrahydrochromen-6-yl)-2,3-dihydrochromen-4-one
PubChem CID: 44589234
Connections displayed (default: 10).
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| Topological Polar Surface Area | 137.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 738.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P18031 |
| Iupac Name | 2-(2,3,4,7,8-pentahydroxy-5,5-dimethyl-2,3,4,4a-tetrahydrochromen-6-yl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Molecular Formula | C20H22O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OYKVSVOHAHXIEQ-UHFFFAOYSA-N |
| Fcsp3 | 0.45 |
| Logs | -2.103 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.973 |
| Compound Name | 2-(2,3,4,7,8-Pentahydroxy-5,5-dimethyl-2,3,4,4a-tetrahydrochromen-6-yl)-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 390.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.131 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 390.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.226977028571429 |
| Inchi | InChI=1S/C20H22O8/c1-20(2)12(11-7-9(21)8-5-3-4-6-10(8)27-11)14(22)16(24)18-13(20)15(23)17(25)19(26)28-18/h3-6,11,13,15,17,19,22-26H,7H2,1-2H3 |
| Smiles | CC1(C2C(C(C(OC2=C(C(=C1C3CC(=O)C4=CC=CC=C4O3)O)O)O)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all