Kadsuralignan H
PubChem CID: 24762749
Connections displayed (default: 10).
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| Compound Synonyms | kadsuralignan H, 960511-16-4, kadsuralignanH, CHEMBL250065, (6R,7R,8R)-2,3-dimethoxy-8-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol |
|---|---|
| Topological Polar Surface Area | 66.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 529.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (6R,7R,8R)-2,3-dimethoxy-8-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C22H26O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HAPHUWWEOOCTDA-SEDUGSJDSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -4.96 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.329 |
| Compound Name | Kadsuralignan H |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 386.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 386.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.205995657142858 |
| Inchi | InChI=1S/C22H26O6/c1-11-6-13-7-16(25-4)22(26-5)20(23)19(13)18(12(11)2)14-8-15(24-3)21-17(9-14)27-10-28-21/h7-9,11-12,18,23H,6,10H2,1-5H3/t11-,12-,18-/m1/s1 |
| Smiles | C[C@@H]1CC2=CC(=C(C(=C2[C@H]([C@@H]1C)C3=CC4=C(C(=C3)OC)OCO4)O)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Canna Coccinea (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Colquhounia Coccinea (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Dahlia Coccinea (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Emilia Coccinea (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Ipomoea Coccinea (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Ixora Coccinea (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Kadsura Ananosma (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Kadsura Angustifolia (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Kadsura Coccinea (Plant) Rel Props:Source_db:npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Kadsura Heteroclita (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Kadsura Interior (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Kadsura Japonica (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Kadsura Lancilimba (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Kadsura Longipedunculata (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Kadsura Peltigera (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Passiflora Coccinea (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Piper Kadsura (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Pyracantha Coccinea (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Rhodiola Coccinea (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Salvia Coccinea (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Thunbergia Coccinea (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Wrightia Coccinea (Plant) Rel Props:Reference: