Lophophorine
PubChem CID: 442315
Connections displayed (default: 10).
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| Compound Synonyms | Lophophorine, 17627-78-0, N-Methylanhalonine, UYZ46JKJ8V, 4-methoxy-8,9-dimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinoline, (9S)-4-methoxy-8,9-dimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinoline, UNII-UYZ46JKJ8V, BRN 0087283, LOPHOPHORINE [MI], 4-27-00-06400 (Beilstein Handbook Reference), CHEBI:6536, SCHEMBL25374946, DTXSID70938780, (9S)-6,7,8,9-Tetrahydro-4-methoxy-8,9-dimethyl-1,3-dioxolo[4,5-h]isoquinoline, 6,7,8,9-Tetrahydro-4-methoxy-8,9-dimethyl-1,3-dioxolo(4,5-h)isoquinoline, AKOS000277193, Isoquinoline, 1,2,3,4-tetrahydro-1,2-dimethyl-6-methoxy-7,8-methylenedioxy-, C09573, 1,3-DIOXOLO(4,5-h)ISOQUINOLINE, 6,7,8,9-TETRAHYDRO-4-METHOXY-8,9-DIMETHYL-, 2,3-Dioxolo(4,5-h)isoquinoline, 6,7,8,9-tetrahydro-4-methoxy-8,9-dimethyl-, (S)-, 4-Methoxy-8,9-dimethyl-6,7,8,9-tetrahydro-2H-[1,3]dioxolo[4,5-h]isoquinoline, 1,3-DIOXOLO(4,5-H)ISOQUINOLINE, 6,7,8,9-TETRAHYDRO-4-METHOXY-8,9-DIMETHYL-, (9S)- |
|---|---|
| Topological Polar Surface Area | 30.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 286.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (9S)-4-methoxy-8,9-dimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinoline |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C13H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PNFBXEKHLUDPIM-QMMMGPOBSA-N |
| Fcsp3 | 0.5384615384615384 |
| Logs | -1.916 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.605 |
| Compound Name | Lophophorine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 235.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 235.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 235.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7475806705882353 |
| Inchi | InChI=1S/C13H17NO3/c1-8-11-9(4-5-14(8)2)6-10(15-3)12-13(11)17-7-16-12/h6,8H,4-5,7H2,1-3H3/t8-/m0/s1 |
| Smiles | C[C@H]1C2=C3C(=C(C=C2CCN1C)OC)OCO3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Cochinchinensis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Buchanania Cochinchinensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Dalbergia Cochinchinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Desmos Cochinchinensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Dracaena Angustifolia (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Dracaena Cinnabari (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dracaena Concinna (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Dracaena Draco (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Dracaena Mannii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Dracaena Ombet (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Dracaena Terminalis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Excoecaria Cochinchinensis (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Glycosmis Cochinchinensis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Gymnocalycium Schickendantzii (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Homalium Cochinchinensis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Lophophora Williamsii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Maclura Cochinchinensis (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Macrosolen Cochinchinensis (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Melodinus Cochinchinensis (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Momordica Cochinchinensis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Mucuna Cochinchinensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Pterocymbium Tinctorium (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Sambucus Williamsii (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Stemona Cochinchinensis (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Symplocos Cochinchinensis (Plant) Rel Props:Reference: