Phytochemical: Ganoderic Acid J

Connections displayed (default: 10).

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Compound Synonyms	Ganoderic Acid J, CHEMBL1922172, (6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid, SCHEMBL6768872, CHEBI:219374, HY-N9312, BDBM50359038, MS-29555, CS-0159346, G18167
Topological Polar Surface Area	126.0
Hydrogen Bond Donor Count	2.0
Inchi Key	KIJCKCLHIXLFEW-JJWHRAAESA-N
Rotatable Bond Count	6.0
Heavy Atom Count	37.0
Compound Name	Ganoderic Acid J
Exact Mass	514.293
Formal Charge	0.0
Monoisotopic Mass	514.293
Isotope Atom Count	0.0
Molecular Complexity	1110.0
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	514.6
Database Name	npass_chem_all;pubchem
Covalent Unit Count	1.0
Uniprot Id	P15121, n.a.
Defined Atom Stereocenter Count	7.0
Iupac Name	(6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Total Atom Stereocenter Count	8.0
Total Bond Stereocenter Count	0.0
Inchi	InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21,23,35H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,21+,23+,28+,29-,30+/m1/s1
Smiles	C[C@H](CC(=O)CC(C)C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
Xlogp	2.6
Defined Bond Stereocenter Count	0.0
Molecular Formula	C30H42O7

1. Outgoing r'ship FOUND_IN to/from Archidendron Lucidum (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Chrysanthemum Sinense (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Erythroxylon Lucidum (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Ligusticum Lucidum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Ligusticum Sinense (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Ligustrum Lucidum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Ligustrum Sinense (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Limonium Sinense (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Onychium Lucidum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Stenostomum Lucidum (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Tetracentron Sinense (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Thalictrum Lucidum (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Trachelospermum Lucidum (Plant) Rel Props:Reference:

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