9-methoxy-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,10-triol
PubChem CID: 5319517
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| Topological Polar Surface Area | 79.2 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,10-triol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RDWWRPSMRUBPHK-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.522 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.675 |
| Compound Name | 9-methoxy-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,10-triol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.223958363636364 |
| Inchi | InChI=1S/C17H16O5/c1-21-15-4-9-7-17(20)8-22-14-5-10(18)2-3-11(14)16(17)12(9)6-13(15)19/h2-6,16,18-20H,7-8H2,1H3 |
| Smiles | COC1=C(C=C2C3C4=C(C=C(C=C4)O)OCC3(CC2=C1)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bischofia Javanica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Callicarpa Arborea (Plant) Rel Props:Source_db:cmaup_ingredients