Stepharine
PubChem CID: 98455
Connections displayed (default: 10).
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| Compound Synonyms | Stepharine, 2810-21-1, NSC135069, 10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one, AI3-34587, NSC 135069, 5',6'-dimethoxy-2',3',8',8a'-tetrahydro-1'h,4h-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one, CHEMBL1975436, SCHEMBL15220038, HMS1607I01, CAA81021, Spiro(2,5-cyclohexadiene-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-, (R)-, AKOS000618797, AKOS021983166, CCG-103003, NSC-135069, DA-58107, NCI60_000789, E87202, 10',11'-dimethoxy-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0?,(1)(2)]dodecane]-1'(12'),2,5,8',10'-pentaen-4-one, Spiro(2,5-cyclohexadien-1,7'(1'H)-cyclopent(ij)isoquinolin)-4-one, 2',3',8',8'a-tetrahydro-5,6-dimethoxy-, (R)-, Spiro[2,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-, (R)- |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 510.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C18H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OGJKMZVUJJYWKO-UHFFFAOYSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -1.373 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.252 |
| Compound Name | Stepharine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 297.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 297.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 297.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0575129818181814 |
| Inchi | InChI=1S/C18H19NO3/c1-21-14-9-11-5-8-19-13-10-18(6-3-12(20)4-7-18)16(15(11)13)17(14)22-2/h3-4,6-7,9,13,19H,5,8,10H2,1-2H3 |
| Smiles | COC1=C(C2=C3C(CC24C=CC(=O)C=C4)NCCC3=C1)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Celtis Tetrandra (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Cynanchum Acutum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Fibraurea Chloroleuca (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Fibraurea Recisa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Fibraurea Tinctoria (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Prismatomeris Tetrandra (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Sinomenium Acutum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Stephania Aculeata (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Stephania Cepharantha (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Stephania Delavayi (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Stephania Dicentrinifera (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Stephania Dielsiana (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Stephania Dinklagei (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Stephania Discolor (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Stephania Elegans (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Stephania Epigaea (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Stephania Erecta (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Stephania Glabra (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Stephania Glandulifera (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Stephania Hernandifolia (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Stephania Hernandiifolia (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Stephania Hispidula (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Stephania Japonica (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Stephania Longa (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Stephania Pierrei (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Stephania Sasakii (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Stephania Sinica (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Stephania Succifera (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Stephania Sutchuenensis (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Stephania Tetrandra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Stephania Viridiflavens (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Stephania Wightii (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Stephania Zippeliana (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Stroemia Tetrandra (Plant) Rel Props:Reference: