Ganoderol B
PubChem CID: 13934286
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| Compound Synonyms | ganoderol B, 104700-96-1, (+)-Ganoderol B, Ganodermadiol, Z99BBB5WR6, CHEBI:142261, (3S,5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol, (3beta,24E)-Lanosta-7,9(11),24-triene-3,26-diol, (3.BETA.,24E)-LANOSTA-7,9(11),24-TRIENE-3,26-DIOL, (3beta,24E)-Lanosta-7,9(11),24-trien-3,26-diol, (3S,5R,10S,13R,14R,17R)-17-((E,2R)-7-HYDROXY-6-METHYLHEPT-5-EN-2-YL)-4,4,10,13,14-PENTAMETHYL-2,3,5,6,12,15,16,17-OCTAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-OL, Lanosta-7,9(11),24-triene-3,26-diol, Ganodermadiol, Ganoderol B, C30H48O2, UNII-Z99BBB5WR6, CHEMBL240972, SCHEMBL4446384, DTXSID201045683, 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))heptadeca-1(17),9-dien-5-ol, 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}]heptadeca-1(17),9-dien-5-ol, HY-N2223, BDBM50356918, AKOS040760130, FG42661, AC-34458, MS-27923, CS-0019546, Q65689742, Lanosta-7,9(11),24-triene-3,26-diol, (3beta,24E)- |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 832.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Uniprot Id | P10275, P22303, P06276, n.a. |
| Iupac Name | (3S,5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Prediction Hob | 1.0 |
| Target Id | NPT204 |
| Xlogp | 7.4 |
| Molecular Formula | C30H48O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AOXXVRDKZLRGTJ-AZIDVCJLSA-N |
| Fcsp3 | 0.8 |
| Logs | -5.503 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.239 |
| Compound Name | Ganoderol B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 440.365 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.365 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 440.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.885514400000002 |
| Inchi | InChI=1S/C30H48O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,21-22,25-26,31-32H,8,10,12-13,15-19H2,1-7H3/b20-9+/t21-,22-,25+,26+,28-,29-,30+/m1/s1 |
| Smiles | C[C@H](CC/C=C(\C)/CO)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[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