Lucidadiol
PubChem CID: 10789991
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| Compound Synonyms | LUCIDADIOL, 252351-95-4, Ganoderon B, ANY54A9QKX, 3,26-Dihydroxylanosta-8,24-dien-7-one, UNII-ANY54A9QKX, CHEMBL1915764, (3S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one, (3beta,24E)-3,26-Dihydroxylanosta-8,24-dien-7-one, (1R,3aR,5aR,7S,9aS,11aR)-7-Hydroxy-1-((2R,5E)-7-hydroxy-6-methylhept-5-en-2-yl)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3ah,4H,5H,5ah,6H,7H,8H,9H,9ah,10H,11H,11ah-cyclopenta(a)phenanthren-4-one, (1R,3aR,5aR,7S,9aS,11aR)-7-hydroxy-1-[(2R,5E)-7-hydroxy-6-methylhept-5-en-2-yl]-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one, (3S,5R,10S,13R,14R,17R)-3-hydroxy-17-((E,2R)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta(a)phenanthren-7-one, SCHEMBL19285829, CHEBI:226634, DTXSID501045682, 5-hydroxy-14-((5E)-7-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,11,15-pentamethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadec-1(10)-en-9-one, 5-hydroxy-14-[(5E)-7-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-9-one, HY-N7346, BDBM50356924, AKOS040761998, DA-55058, CS-0113479, Q15426219, (3.BETA.,24E)-3,26-DIHYDROXYLANOSTA-8,24-DIEN-7-ONE |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 866.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Uniprot Id | P22303, P06276 |
| Iupac Name | (3S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one |
| Prediction Hob | 0.0 |
| Target Id | NPT204, NPT439 |
| Xlogp | 6.7 |
| Molecular Formula | C30H48O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AZPOACUDFJKUHJ-GPEQXWBKSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -5.25 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.882 |
| Compound Name | Lucidadiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 456.36 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 456.36 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 456.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.587808200000001 |
| Inchi | InChI=1S/C30H48O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24-25,31,33H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,25+,28-,29-,30+/m1/s1 |
| Smiles | C[C@H](CC/C=C(\C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Barleria Strigosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Juniperus Occidentalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vigna Mungo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all