Lucidamine B
PubChem CID: 23656475
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| Compound Synonyms | lucidamine B, 1-((6S)-2,3-dihydroxy-7,8-dimethoxy-5-methyl-1,4-bis(2-methylbut-3-en-2-yl)-6H-benzo(c)phenanthridin-6-yl)propan-2-one, 1-[(6S)-2,3-dihydroxy-7,8-dimethoxy-5-methyl-1,4-bis(2-methylbut-3-en-2-yl)-6H-benzo[c]phenanthridin-6-yl]propan-2-one, CHEMBL252914, 956012-28-5 |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 916.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-[(6S)-2,3-dihydroxy-7,8-dimethoxy-5-methyl-1,4-bis(2-methylbut-3-en-2-yl)-6H-benzo[c]phenanthridin-6-yl]propan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 7.3 |
| Molecular Formula | C33H39NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JBKDWQUWYFBOCS-QFIPXVFZSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -4.917 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.835 |
| Compound Name | Lucidamine B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 529.283 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 529.283 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 529.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.504887143589745 |
| Inchi | InChI=1S/C33H39NO5/c1-11-32(4,5)26-21-14-13-20-19-15-16-23(38-9)31(39-10)24(19)22(17-18(3)35)34(8)28(20)25(21)27(30(37)29(26)36)33(6,7)12-2/h11-16,22,36-37H,1-2,17H2,3-10H3/t22-/m0/s1 |
| Smiles | CC(=O)C[C@H]1C2=C(C=CC(=C2OC)OC)C3=C(N1C)C4=C(C=C3)C(=C(C(=C4C(C)(C)C=C)O)O)C(C)(C)C=C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Angelica Lucida (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Coprosma Lucida (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Garcinia Atroviridis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
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FOUND_INto/from Garcinia Cowa (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Garcinia Dulcis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Garcinia Echinocarpa (Plant) Rel Props:Reference: - 11. Outgoing r'ship
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FOUND_INto/from Garcinia Lucida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 28. Outgoing r'ship
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FOUND_INto/from Gardenia Lucida (Plant) Rel Props:Reference: - 57. Outgoing r'ship
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