Przewalskin B
PubChem CID: 51002763
Connections displayed (default: 10).
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| Compound Synonyms | (-)-Przewalskin B, B5MGR8G3HH, Przewalskin B, UNII-B5MGR8G3HH, PRZEWALSKIN B [MI], 924896-96-8, (4bR,6aR,9aR,11aS)-1,3,4b,10,11,11a-Hexahydro-6a-hydroxy-1,1-dimethyl-8-(1-methylethyl)-2H,6H-cyclopenta(c)naphtha(1,2-b)furan-6,7(6aH)-dione, (4BR,6AR,9AR,11AS)-1,3,4B,10,11,11A-HEXAHYDRO-6A-HYDROXY-1,1-DIMETHYL-8-(1-METHYLETHYL)-2H,6H-CYCLOPENTA(C)NAPHTHO(1,2-B)FURAN-6,7(6AH)-DIONE, 2H,6H-CYCLOPENTA(C)NAPHTHO(1,2-B)FURAN-6,7(6AH)-DIONE, 1,3,4B,10,11,11A-HEXAHYDRO-6A-HYDROXY-1,1-DIMETHYL-8-(1-METHYLETHYL)-, (4BR,6AR,9AR,11AS)-, (1R,4S,10R,13R)-13-hydroxy-5,5-dimethyl-15-propan-2-yl-11-oxatetracyclo(8.6.0.01,13.04,9)hexadeca-8,15-diene-12,14-dione, (1R,4S,10R,13R)-13-hydroxy-5,5-dimethyl-15-propan-2-yl-11-oxatetracyclo[8.6.0.01,13.04,9]hexadeca-8,15-diene-12,14-dione |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 698.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,4S,10R,13R)-13-hydroxy-5,5-dimethyl-15-propan-2-yl-11-oxatetracyclo[8.6.0.01,13.04,9]hexadeca-8,15-diene-12,14-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C20H26O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XENNDAKNPKZKFC-BGRCLHOASA-N |
| Fcsp3 | 0.7 |
| Logs | -4.869 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.189 |
| Compound Name | Przewalskin B |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 330.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 330.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.926828800000001 |
| Inchi | InChI=1S/C20H26O4/c1-11(2)13-10-19-9-7-14-12(6-5-8-18(14,3)4)16(19)24-17(22)20(19,23)15(13)21/h6,10-11,14,16,23H,5,7-9H2,1-4H3/t14-,16-,19-,20-/m1/s1 |
| Smiles | CC(C)C1=C[C@]23CC[C@@H]4C(=CCCC4(C)C)[C@H]2OC(=O)[C@@]3(C1=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amentotaxus Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Siversiana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Camptothecium Lutescens (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Deguelia Hatschbachii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Delphinium Cyphoplectrum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Dioscorea Communis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Euphorbia Retusa (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Notholaena Dealbata (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Salvia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Stauntonia Obovatifoliola (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Uvaria Klaineana (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Viburnum Sieboldi (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Vicia Sativa (Plant) Rel Props:Source_db:cmaup_ingredients