(R)-nantenine
PubChem CID: 46225255
Connections displayed (default: 10).
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| Compound Synonyms | (R)-nantenine, CHEMBL605626 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 636.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-[(12R)-19-acetyl-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-18-yl]ethanone |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Is Pains | False |
| Molecular Formula | C22H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QBCMSGDOKGQABG-QGZVFWFLSA-N |
| Fcsp3 | 0.3636363636363636 |
| Rotatable Bond Count | 2.0 |
| Compound Name | (R)-nantenine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 363.147 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 363.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 363.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9721494888888897 |
| Inchi | InChI=1S/C22H21NO4/c1-11(24)15-6-13-4-5-23(3)17-7-14-8-18-19(27-10-26-18)9-16(14)22(21(13)17)20(15)12(2)25/h6,8-9,17H,4-5,7,10H2,1-3H3/t17-/m1/s1 |
| Smiles | CC(=O)C1=C(C2=C3[C@@H](CC4=CC5=C(C=C42)OCO5)N(CCC3=C1)C)C(=O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Ternata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Corydalis Turtschaninovii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients