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Artorigidin A

PubChem CID: 46834285

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Compound Synonyms Artorigidin A, CHEMBL1094756, (5R)-1,3,4,8,10-pentahydroxy-9,11-bis(3-methylbut-2-enyl)-5-prop-1-en-2-yl-5,6-dihydrobenzo(c)xanthen-7-one, (5R)-1,3,4,8,10-pentahydroxy-9,11-bis(3-methylbut-2-enyl)-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one, BDBM50317857
Topological Polar Surface Area 127.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 37.0
Isotope Atom Count 0.0
Molecular Complexity 1000.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Uniprot Id P19838, Q04206
Iupac Name (5R)-1,3,4,8,10-pentahydroxy-9,11-bis(3-methylbut-2-enyl)-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one
Prediction Hob 0.0
Target Id NPT721
Xlogp 7.3
Molecular Formula C30H32O7
Prediction Swissadme 0.0
Inchi Key LAAYVNVIRVOBNR-GOSISDBHSA-N
Fcsp3 0.3
Logs -2.79
Rotatable Bond Count 5.0
Logd 3.206
Compound Name Artorigidin A
Prediction Hob Swissadme 0.0
Exact Mass 504.215
Formal Charge 0.0
Monoisotopic Mass 504.215
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 504.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -7.425089800000002
Inchi InChI=1S/C30H32O7/c1-13(2)7-9-16-25(33)17(10-8-14(3)4)29-24(26(16)34)27(35)19-11-18(15(5)6)22-23(30(19)37-29)20(31)12-21(32)28(22)36/h7-8,12,18,31-34,36H,5,9-11H2,1-4,6H3/t18-/m1/s1
Smiles CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C4=C([C@H](C3)C(=C)C)C(=C(C=C4O)O)O)CC=C(C)C)O)C
Nring 4.0
Defined Bond Stereocenter Count 0.0