Artonol C
PubChem CID: 10839101
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| Compound Synonyms | Artonol C, 186824-59-9, 3,10,17-trihydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),3,5,9,16(25),17,19(24),22-nonaen-15-one, CHEBI:140147, DTXSID901101399, LMPK12111532, 9,12-Dihydro-6,10,15-trihydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthen-7-one, 9,12-Dihydro-6,10,15-trihydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-pyrano[2,3-c]pyrano[2a(2),3a(2):4,5]benzo[1,2-h]xanthen-7-one |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | JVLAUHJNDLMVDW-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | 9,12-Dihydro-6,10,15-trihydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthen-7-one |
| Heavy Atom Count | 37.0 |
| Compound Name | Artonol C |
| Description | Constituent of the bark of Artocarpus communis (breadfruit). Artonol C is found in breadfruit and fruits. |
| Exact Mass | 500.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 500.184 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1100.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 500.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,10,17-trihydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),3,5,9,16(25),17,19(24),22-nonaen-15-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C30H28O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31-32,34H,1,11H2,2-6H3 |
| Smiles | CC(=C)C1CC2=C(C3=C1C(=C4C(=C3O)C=CC(O4)(C)C)O)OC5=C(C2=O)C(=CC6=C5C=CC(O6)(C)C)O |
| Xlogp | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C30H28O7 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Communis (Plant) Rel Props:Source_db:fooddb_chem_all