(-)-ficuseptine C
PubChem CID: 11359996
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| Compound Synonyms | (-)-ficuseptine C, CHEMBL255848 |
|---|---|
| Topological Polar Surface Area | 30.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 541.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (23R)-13-methoxy-5,7-dioxa-19-azahexacyclo[15.7.0.02,10.04,8.011,16.019,23]tetracosa-1(17),2,4(8),9,11(16),12,14-heptaene |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C22H21NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SQVBRXGPXHOUAI-CYBMUJFWSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -6.814 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.403 |
| Compound Name | (-)-ficuseptine C |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 347.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 347.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 347.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.24332833846154 |
| Inchi | InChI=1S/C22H21NO3/c1-24-14-4-5-15-17(8-14)19-10-22-21(25-12-26-22)9-18(19)16-7-13-3-2-6-23(13)11-20(15)16/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3/t13-/m1/s1 |
| Smiles | COC1=CC2=C(C=C1)C3=C(C[C@H]4CCCN4C3)C5=CC6=C(C=C52)OCO6 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nandina Domestica (Plant) Rel Props:Source_db:cmaup_ingredients