(1R,14S,24S)-24-methoxy-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene
PubChem CID: 162958766
Connections displayed (default: 10).
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| Topological Polar Surface Area | 67.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 563.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,14S,24S)-24-methoxy-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C20H19NO6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XXNNKVDBGXCFHP-NSHGMRRFSA-N |
| Fcsp3 | 0.4 |
| Logs | -4.013 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.797 |
| Compound Name | (1R,14S,24S)-24-methoxy-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 369.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 369.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 369.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.60260148888889 |
| Inchi | InChI=1S/C20H19NO6/c1-22-20-16-11(2-3-13-19(16)26-9-23-13)17-18(27-20)12-7-15-14(24-8-25-15)6-10(12)4-5-21-17/h2-3,6-7,17-18,20-21H,4-5,8-9H2,1H3/t17-,18+,20-/m0/s1 |
| Smiles | CO[C@@H]1C2=C(C=CC3=C2OCO3)[C@H]4[C@H](O1)C5=CC6=C(C=C5CCN4)OCO6 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Microstigma (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chrozophora Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients