Corycavine
PubChem CID: 276145
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| Compound Synonyms | CORYCAVINE, NSC123402, 521-87-9, Corycavamine, (+/-)-, UNII-DM85L9FV7N, DM85L9FV7N, (+/-)-corycavamine, NSC 123402, 7,16-Dimethyl-6,8,9,16-tetrahydrobis(1,3)benzodioxolo(4,5-c:5',6'-g)azecin-15(7H)-one, NSC-123402, 7,16-Dimethyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one, CORYCAVIN, (+/-)-Corycavine, ACon1_002262, CORYCAVAMINE DL-FORM [MI], WOLWLEQYUFDNTA-UHFFFAOYSA-N, CCA50542, HY-N12185, AKOS000277068, NCI60_000225, CS-0892952, BRD-A25851298-001-01-3, Q27276482, 7,16-Dimethyl-6,8,9,16-tetrahydrodi[1,3]benzodioxolo[4,5-c:5,6-g]azecin-15(7H)-one #, Dibenzo[c,g]azecin-13-one, perhydro-6,14-dimethyl-3,4:10,11-bis(methylenedioxy)-, 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, BIS(1,3)BENZODIOXOLO(4,5-C:5',6'-G)AZECIN-13(5H)-ONE, 4,6,7,14-TETRAHYDRO-5,14-DIMETHYL-, (+/-)- |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 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-UHFFFAOYSA-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 |
| Smiles | CC1C2=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 Incisa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all