Sinensol D
PubChem CID: 10621720
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| Compound Synonyms | SINENSOL D, 7-((4-hydroxyphenyl)methyl)-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho(2,1-f)chromen-10-ol, 7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol, CHEMBL471472, 312583-49-6 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 652.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Is Pains | False |
| Molecular Formula | C27H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OBAJVJGJCGPZCJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2592592592592592 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Sinensol D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 414.183 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 414.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 414.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.390083619354839 |
| Inchi | InChI=1S/C27H26O4/c1-27(2)13-12-19-18-8-9-21-22(14-16-4-6-17(28)7-5-16)25(30-3)15-23(29)26(21)20(18)10-11-24(19)31-27/h4-7,10-13,15,28-29H,8-9,14H2,1-3H3 |
| Smiles | CC1(C=CC2=C(O1)C=CC3=C2CCC4=C3C(=CC(=C4CC5=CC=C(C=C5)O)OC)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spiranthes Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients