(10S)-17-methoxy-18-oxatetracyclo[8.7.1.12,15.13,7]icosa-1,3,5,7(20),15(19),16-hexaen-4-ol
PubChem CID: 637167
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| Topological Polar Surface Area | 38.7 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (10S)-17-methoxy-18-oxatetracyclo[8.7.1.12,15.13,7]icosa-1,3,5,7(20),15(19),16-hexaen-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C20H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KQUHZCNOJKJULS-HNNXBMFYSA-N |
| Fcsp3 | 0.4 |
| Logs | -6.399 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.003 |
| Compound Name | (10S)-17-methoxy-18-oxatetracyclo[8.7.1.12,15.13,7]icosa-1,3,5,7(20),15(19),16-hexaen-4-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 310.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 310.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.158923556521739 |
| Inchi | InChI=1S/C20H22O3/c1-22-19-12-14-4-2-3-5-15-8-6-13-7-9-18(21)16(10-13)17(11-14)20(19)23-15/h7,9-12,15,21H,2-6,8H2,1H3/t15-/m0/s1 |
| Smiles | COC1=CC2=CC3=C1O[C@@H](CCCC2)CCC4=CC3=C(C=C4)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myrica Arborea (Plant) Rel Props:Source_db:cmaup_ingredients