5,7-Dihydroxy-3-(3-hydroxy-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)-6-methyl-2,3-dihydrochromen-4-one
PubChem CID: 10993817
Connections displayed (default: 10).
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| Topological Polar Surface Area | 96.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 776.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-(3-hydroxy-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)-6-methyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C26H28O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZEHGQRSTISIYCB-UHFFFAOYSA-N |
| Fcsp3 | 0.4230769230769231 |
| Logs | -2.909 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.488 |
| Compound Name | 5,7-Dihydroxy-3-(3-hydroxy-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-yl)-6-methyl-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 436.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 436.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.737724800000001 |
| Inchi | InChI=1S/C26H28O6/c1-12-5-6-18-14(7-12)16-8-15(20(28)10-21(16)32-26(18,3)4)17-11-31-22-9-19(27)13(2)24(29)23(22)25(17)30/h7-10,14,17-18,27-29H,5-6,11H2,1-4H3 |
| Smiles | CC1=CC2C(CC1)C(OC3=C2C=C(C(=C3)O)C4COC5=C(C4=O)C(=C(C(=C5)O)C)O)(C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Desmodium Canum (Plant) Rel Props:Source_db:cmaup_ingredients