(5S)-5-hydroxy-6,6,11-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-1(13),2,9(14),11-tetraen-4-one
PubChem CID: 163093447
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 668.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5-hydroxy-6,6,11-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-1(13),2,9(14),11-tetraen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C20H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UDAMKGHKZTVCKK-FQEVSTJZSA-N |
| Fcsp3 | 0.55 |
| Logs | -4.901 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.572 |
| Compound Name | (5S)-5-hydroxy-6,6,11-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-1(13),2,9(14),11-tetraen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 298.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 298.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6150412000000003 |
| Inchi | InChI=1S/C20H26O2/c1-12(2)16-11-14-7-6-13(3)10-15-8-9-19(4,5)20(22,17(14)15)18(16)21/h6-7,11-12,22H,8-10H2,1-5H3/t20-/m0/s1 |
| Smiles | CC1=CC=C2C=C(C(=O)[C@]3(C2=C(C1)CCC3(C)C)O)C(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Keiskei (Plant) Rel Props:Source_db:cmaup_ingredients