2-(1,7-Dihydroxy-6,8-dimethoxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-6,8-dimethoxy-3-methyl-5-propan-2-ylnaphthalene-1,7-diol
PubChem CID: 5316861
Connections displayed (default: 10).
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| Topological Polar Surface Area | 118.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 757.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1,7-dihydroxy-6,8-dimethoxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-6,8-dimethoxy-3-methyl-5-propan-2-ylnaphthalene-1,7-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.5 |
| Molecular Formula | C32H38O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PFGITRZALMGEQG-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -3.606 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.709 |
| Compound Name | 2-(1,7-Dihydroxy-6,8-dimethoxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-6,8-dimethoxy-3-methyl-5-propan-2-ylnaphthalene-1,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 550.257 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 550.257 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 550.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.880717600000002 |
| Inchi | InChI=1S/C32H38O8/c1-13(2)19-17-11-15(5)21(25(33)23(17)31(39-9)27(35)29(19)37-7)22-16(6)12-18-20(14(3)4)30(38-8)28(36)32(40-10)24(18)26(22)34/h11-14,33-36H,1-10H3 |
| Smiles | CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4OC)O)OC)C(C)C)O)O)C(=C(C(=C2C(C)C)OC)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Eleutherococcus Gracilistylus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Eleutherococcus Senticosus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Eucommia Ulmoides (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Fraxinus Stylosa (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Gossypium Herbaceum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Magnolia Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Oplopanax Elatus (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Paulownia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Saussurea Costus (Plant) Rel Props:Source_db:cmaup_ingredients