Caribine
PubChem CID: 441590
Connections displayed (default: 10).
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| Compound Synonyms | Caribine, 74483-60-6, DTXSID10331599, (1R,17S,22S,23S)-5,7-dioxa-12,21-diazahexacyclo[10.10.1.02,10.04,8.015,23.017,22]tricosa-2,4(8),9,15-tetraen-14-ol, C08522, CHEBI:3417, DTXCID10282693, Q27106065 |
|---|---|
| Topological Polar Surface Area | 54.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 567.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,17S,22S,23S)-5,7-dioxa-12,21-diazahexacyclo[10.10.1.02,10.04,8.015,23.017,22]tricosa-2,4(8),9,15-tetraen-14-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C19H22N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YZJARFWVCIXVDT-DVORTUFPSA-N |
| Fcsp3 | 0.5789473684210527 |
| Logs | -6.889 |
| Rotatable Bond Count | 0.0 |
| Logd | 7.109 |
| Compound Name | Caribine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.163 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 326.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.369955200000001 |
| Inchi | InChI=1S/C19H22N2O3/c22-14-8-21-7-11-5-15-16(24-9-23-15)6-12(11)17-18-10(2-1-3-20-18)4-13(14)19(17)21/h4-6,10,14,17-20,22H,1-3,7-9H2/t10-,14?,17+,18-,19+/m0/s1 |
| Smiles | C1C[C@H]2C=C3[C@@H]4[C@@H]([C@H]2NC1)C5=CC6=C(C=C5CN4CC3O)OCO6 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hymenocallis Arenicola (Plant) Rel Props:Source_db:cmaup_ingredients