2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
PubChem CID: 157009956
Connections displayed (default: 10).
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| Topological Polar Surface Area | 302.0 |
|---|---|
| Hydrogen Bond Donor Count | 9.0 |
| Inchi Key | SGJHURBAWYYGJW-UHFFFAOYSA-N |
| Rotatable Bond Count | 10.0 |
| Heavy Atom Count | 76.0 |
| Compound Name | 2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione, 16-hydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-1,7,8,10,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,3,11-trione |
| Description | Cucurbitacin k is a member of the class of compounds known as cucurbitacins. Cucurbitacins are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions. Cucurbitacin k can be found in bitter gourd, which makes cucurbitacin k a potential biomarker for the consumption of this food product. |
| Exact Mass | 1064.61 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 1064.61 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 2280.0 |
| Hydrogen Bond Acceptor Count | 16.0 |
| Molecular Weight | 1065.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 2.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,16-dihydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione, 16-hydroxy-4,4,9,13,14-pentamethyl-17-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)-1,7,8,10,12,15,16,17-octahydrocyclopenta[a]phenanthrene-2,3,11-trione |
| Total Atom Stereocenter Count | 18.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/2C30H44O8/c2*1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,16,18-20,23,32-33,37-38H,10-14H2,1-8H3, 9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3 |
| Smiles | CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(=O)C1=O)C)C)C(C)(C(=O)CC(C(C)(C)O)O)O)O)C)C.CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)CC(C(C)(C)O)O)O)O)C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C60H88O16 |
- 1. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:fooddb_chem_all