Perviridisinol C
PubChem CID: 71658236
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| Compound Synonyms | Perviridisinol C, (1S,3R,6S,7S,8S,11S,12S,15R,16R)-15-((2R)-1-hydroxy-6-methyl-5-methylideneheptan-2-yl)-7,12,16-trimethylpentacyclo(9.7.0.01,3.03,8.012,16)octadecan-6-ol, (1S,3R,6S,7S,8S,11S,12S,15R,16R)-15-[(2R)-1-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol, CHEMBL2331817 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 758.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (1S,3R,6S,7S,8S,11S,12S,15R,16R)-15-[(2R)-1-hydroxy-6-methyl-5-methylideneheptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 8.5 |
| Molecular Formula | C30H50O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UIAGZIIGWMBFBA-RODLHURISA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -5.779 |
| Rotatable Bond Count | 6.0 |
| Logd | 5.03 |
| Compound Name | Perviridisinol C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 442.381 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 442.381 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 442.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.543913600000002 |
| Inchi | InChI=1S/C30H50O2/c1-19(2)20(3)7-8-22(17-31)24-11-13-28(6)26-10-9-23-21(4)25(32)12-14-29(23)18-30(26,29)16-15-27(24,28)5/h19,21-26,31-32H,3,7-18H2,1-2,4-6H3/t21-,22-,23-,24+,25-,26-,27+,28-,29+,30-/m0/s1 |
| Smiles | C[C@H]1[C@@H]2CC[C@H]3[C@@]4(CC[C@@H]([C@]4(CC[C@@]35[C@@]2(C5)CC[C@@H]1O)C)[C@@H](CCC(=C)C(C)C)CO)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaia Perviridis (Plant) Rel Props:Source_db:cmaup_ingredients