24-Dien-11-one
PubChem CID: 45267955
Connections displayed (default: 10).
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| Compound Synonyms | 24-dien-11-one, CHEMBL563863 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | MQKIXGKQVTWMES-DQHXPEKOSA-N |
| Fcsp3 | 0.8275862068965517 |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 30.0 |
| Compound Name | 24-Dien-11-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.355 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.355 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 750.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 410.7 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (8R,9S,10R,13R,14S,17R)-4,4,13,14-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,9,10,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-one |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -7.615853200000002 |
| Inchi | InChI=1S/C29H46O/c1-19(2)10-8-11-20(3)22-15-17-28(6)24-14-13-23-21(12-9-16-27(23,4)5)26(24)25(30)18-29(22,28)7/h10,13,20-22,24,26H,8-9,11-12,14-18H2,1-7H3/t20-,21+,22-,24-,26-,28+,29-/m1/s1 |
| Smiles | C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC(=O)[C@H]3[C@H]2CC=C4[C@@H]3CCCC4(C)C)C)C |
| Xlogp | 8.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C29H46O |
- 1. Outgoing r'ship
FOUND_INto/from Cucumis Melo (Plant) Rel Props:Source_db:cmaup_ingredients