hedychilactone D
PubChem CID: 25181412
Connections displayed (default: 10).
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| Compound Synonyms | hedychilactone D, CHEBI:66009, 7-hydroxy,6-oxo-7,11,13-labdatrien-16,15-olide, 4-{(E)-2-[(1R,4aS,8aR)-3-hydroxy-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethenyl}furan-2(5H)-one, CHEMBL459717, DTXSID201103213, 1122474-27-4, Q27134513, 3-[(E)-2-[(1R,4aS,8aR)-3-hydroxy-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one, 4-[(1E)-2-[(1R,4aS,8aR)-1,4,4a,5,6,7,8,8a-Octahydro-3-hydroxy-2,5,5,8a-tetramethyl-4-oxo-1-naphthalenyl]ethenyl]-2(5H)-furanone |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 680.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 3-[(E)-2-[(1R,4aS,8aR)-3-hydroxy-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C20H26O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CGTQDMWGKOVCFZ-TYUXXYNOSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.895 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.054 |
| Compound Name | hedychilactone D |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.9805287999999996 |
| Inchi | InChI=1S/C20H26O4/c1-12-14(7-6-13-10-15(21)24-11-13)20(4)9-5-8-19(2,3)18(20)17(23)16(12)22/h6-7,10,14,18,22H,5,8-9,11H2,1-4H3/b7-6+/t14-,18-,20+/m0/s1 |
| Smiles | CC1=C(C(=O)[C@@H]2[C@@]([C@H]1/C=C/C3=CC(=O)OC3)(CCCC2(C)C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acer Spicatum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Hedychium Coccineum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Hedychium Coronarium (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Hedychium Ellipticum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Hedychium Forrestii (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Hedychium Gardnerianum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Hedychium Glaucum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Hedychium Gracile (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Hedychium Longicornutum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Hedychium Marginatum (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Hedychium Spicatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Hedychium Villosum (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Hedychium Yunnanense (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Myriophyllum Spicatum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Stachyphrynium Spicatum (Plant) Rel Props:Reference: