Arisantetralone B
PubChem CID: 13844291
Connections displayed (default: 10).
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| Compound Synonyms | Arisantetralone B, 1161947-96-1, (2S,3S,4R)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dimethyl-3,4-dihydro-2H-naphthalen-1-one, CHEMBL1079353, AKOS040763617, FS-8310, (2S,3S,4R)-6-hydroxy-4-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-2,3-dimethyl-tetralin-1-one, (2S,3S,4R)-6-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dimethyl-3,4-dihydronaphthalen-1(2H)-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S,3S,4R)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dimethyl-3,4-dihydro-2H-naphthalen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C20H22O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WFNWOPFVZGRWFA-RMDKCXRXSA-N |
| Fcsp3 | 0.35 |
| Logs | -4.224 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.211 |
| Compound Name | Arisantetralone B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 342.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 342.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4636242 |
| Inchi | InChI=1S/C20H22O5/c1-10-11(2)20(23)14-9-18(25-4)16(22)8-13(14)19(10)12-5-6-15(21)17(7-12)24-3/h5-11,19,21-22H,1-4H3/t10-,11+,19-/m1/s1 |
| Smiles | C[C@@H]1[C@@H](C(=O)C2=CC(=C(C=C2[C@H]1C3=CC(=C(C=C3)O)OC)O)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calanthe Arisanensis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Daphne Arisanensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Gentiana Arisanensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Schisandra Arisanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Schisandra Glaucescens (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Schisandra Grandiflora (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Schisandra Henryi (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Schisandra Lancifolia (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Schisandra Micrantha (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Schisandra Neglecta (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Schisandra Nigra (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Schisandra Propinqua (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Schisandra Rubriflora (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Schisandra Sphaerandra (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Schisandra Sphenanthera (Plant) Rel Props:Reference: