Psoracorylifol A
PubChem CID: 11848147
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| Compound Synonyms | Psoracorylifol A, 879290-97-8, 4-[(S)-[(3S,6S)-3-Ethenyl-3-methyl-6-prop-1-en-2-yloxan-2-yl]-hydroxymethyl]phenol, AKOS040734164, FS-7919, 4-[(S)-[(3S,6S)-3-ethenyl-3-methyl-6-(prop-1-en-2-yl)oxan-2-yl](hydroxy)methyl]phenol |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | 4-[(S)-[(3S,6S)-3-ethenyl-3-methyl-6-prop-1-en-2-yloxan-2-yl]-hydroxymethyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C18H24O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VLFQGDGCZKMBDA-UKSPMXFCSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -2.991 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.212 |
| Compound Name | Psoracorylifol A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 288.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.013527971428571 |
| Inchi | InChI=1S/C18H24O3/c1-5-18(4)11-10-15(12(2)3)21-17(18)16(20)13-6-8-14(19)9-7-13/h5-9,15-17,19-20H,1-2,10-11H2,3-4H3/t15-,16-,17?,18+/m0/s1 |
| Smiles | CC(=C)[C@@H]1CC[C@@](C(O1)[C@H](C2=CC=C(C=C2)O)O)(C)C=C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cullen Corylifolium (Plant) Rel Props:Source_db:cmaup_ingredients