Atracylenolid
PubChem CID: 91750207
Connections displayed (default: 10).
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| Compound Synonyms | Atracylenolid, YNLHYEKVZRPZOZ-GNXJLENFSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 337.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,8aR)-4,7-dimethyl-1-propan-2-yl-2,5,6,8a-tetrahydro-1H-naphthalen-4a-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | YNLHYEKVZRPZOZ-GNXJLENFSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.505 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.093 |
| Compound Name | Atracylenolid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9105072 |
| Inchi | InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h5,9-10,13-14,16H,6-8H2,1-4H3/t13-,14+,15?/m1/s1 |
| Smiles | CC1=C[C@H]2[C@H](CC=C(C2(CC1)O)C)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients