25(R)-Hydroxyprotopanaxadiol
PubChem CID: 158501
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| Compound Synonyms | 25(R)-Hydroxyprotopanaxadiol, 83349-37-5, 25-OH-PPD, (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2,6-dihydroxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol, 25-Hydroxyprotopanaxadiol, Dammarane-3,12,20,25-tetrol, (3beta,12beta,20R)-, CHEMBL1669124, 20(R)-25-Hydroxyprotopanaxadiol, Dammarane-3,12,20,25-tetrol, DTXSID601003342, AKOS040760204, FS-6985, CS-0181876, (1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-1-[(2R)-2,6-dihydroxy-6-methylheptan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydro-1H-cyclopenta[a]phenanthrene-7,11-diol |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 778.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Uniprot Id | n.a. |
| Iupac Name | (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2,6-dihydroxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol |
| Prediction Hob | 0.0 |
| Xlogp | 5.9 |
| Molecular Formula | C30H54O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VKYVIIIEJKSVBR-XHJPDDKBSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.475 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.497 |
| Compound Name | 25(R)-Hydroxyprotopanaxadiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 478.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.402 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 478.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.182699600000001 |
| Inchi | InChI=1S/C30H54O4/c1-25(2,33)13-9-14-30(8,34)19-10-16-29(7)24(19)20(31)18-22-27(5)15-12-23(32)26(3,4)21(27)11-17-28(22,29)6/h19-24,31-34H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24-,27-,28+,29+,30+/m0/s1 |
| Smiles | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(CC[C@@H]4[C@@](C)(CCCC(C)(C)O)O)C)O)C)(C)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all