(-)-Corycavine
PubChem CID: 90478581
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| Compound Synonyms | (-)-Corycavine, Corycavine, (-)-, Corycavamine, (-)-, UNII-950XPW1NO8, 950XPW1NO8, 144606-40-6, Bis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-13(5H)-one, 4,6,7,14-tetrahydro-5,14-dimethyl-, (S)-, (2S)-2,15-dimethyl-7,9,19,21-tetraoxa-15-azapentacyclo(15.7.0.04,12.06,10.018,22)tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one, (2S)-2,15-dimethyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one, Q27271725 |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 571.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2,15-dimethyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C21H21NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WOLWLEQYUFDNTA-LBPRGKRZSA-N |
| Fcsp3 | 0.3809523809523809 |
| Logs | -5.191 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.743 |
| Compound Name | (-)-Corycavine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 367.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 367.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 367.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.56357508888889 |
| Inchi | InChI=1S/C21H21NO5/c1-12-14-3-4-17-21(27-11-24-17)16(14)9-22(2)6-5-13-7-18-19(26-10-25-18)8-15(13)20(12)23/h3-4,7-8,12H,5-6,9-11H2,1-2H3/t12-/m0/s1 |
| Smiles | C[C@H]1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Tuberosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dovyalis Hebecarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Eremophila Oppositifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ixeris Repens (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lycopodium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Taxillus Yadoriki (Plant) Rel Props:Source_db:cmaup_ingredients