10beta-Hydroxy-6beta-methoxy-furanoeremo-philane
PubChem CID: 5318265
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| Compound Synonyms | 10beta-Hydroxy-6beta-methoxy-furanoeremo-philane, CHEBI:228944, (4S,4aS,5S,8aS)-4-methoxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[][1]benzouran-8a-ol |
|---|---|
| Topological Polar Surface Area | 42.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (4S,4aS,5S,8aS)-4-methoxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-8a-ol |
| Prediction Hob | 0.0 |
| Xlogp | 2.8 |
| Molecular Formula | C16H24O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SIYTYNVDUNLHNR-MWNCTCPHSA-N |
| Fcsp3 | 0.75 |
| Logs | -2.45 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.029 |
| Compound Name | 10beta-Hydroxy-6beta-methoxy-furanoeremo-philane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 264.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3591998421052627 |
| Inchi | InChI=1S/C16H24O3/c1-10-9-19-12-8-16(17)7-5-6-11(2)15(16,3)14(18-4)13(10)12/h9,11,14,17H,5-8H2,1-4H3/t11-,14+,15-,16-/m0/s1 |
| Smiles | C[C@H]1CCC[C@]2([C@@]1([C@@H](C3=C(C2)OC=C3C)OC)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Lavandulifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Farfugium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients