1.0
2011-09-21 00:13:27 UTC
2015-07-21 06:57:11 UTC
FDB022402
3-Hexaprenyl-4,5-Dihydroxybenzoic acid
3-Hexaprenyl-4,5-Dihydroxybenzoic acid is an intermediate in the biosynthesis of Ubiquinone. It is a substrate for Hexaprenyldihydroxybenzoate methyltransferase (mitochondrial). [HMDB]
3-Hexaprenyl-4,5-Dihydroxybenzoate
3-Hexaprenyl-4,5-Dihydroxybenzoic acid
3,4-Dihydroxy-5-hexaprenylbenzoate
3,4-Dihydroxy-5-hexaprenylbenzoic acid
Dhhpba
C37H54O4
562.8223
562.402210216
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4,5-dihydroxybenzoic acid
dhhpba
63975-40-6
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(O)=CC(=C1)C(O)=O
InChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32-23+
VEPICJBQCOUQPI-IRVXXIIISA-N
belongs to the class of organic compounds known as polyprenylbenzene-1,2-diols. Polyprenylbenzene-1,2-diols are compounds containing a polyisoprene chain attached to a catechol group.
Polyprenylbenzene-1,2-diols
Organic compounds
Lipids and lipid-like molecules
Prenol lipids
Polyprenylphenols
Aromatic homomonocyclic compounds
1-hydroxy-2-unsubstituted benzenoids
1-hydroxy-4-unsubstituted benzenoids
Benzoic acids
Benzoyl derivatives
Carboxylic acids
Catechols
Hydrocarbon derivatives
Hydroxybenzoic acid derivatives
Monocarboxylic acids and derivatives
Organic oxides
Organooxygen compounds
Sesterterpenoids
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Aromatic homomonocyclic compound
Benzenoid
Benzoic acid
Benzoic acid or derivatives
Benzoyl
Carboxylic acid
Carboxylic acid derivative
Catechol
Dihydroxybenzoic acid
Hydrocarbon derivative
Hydroxybenzoic acid
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
Organic oxide
Organic oxygen compound
Organooxygen compound
Phenol
Polyprenylbenzene-1,2-diol
Sesterterpenoid
Ubiquinones
dihydroxybenzoic acid
Solid
logp
8.41
logs
-5.99
solubility
5.73e-04 g/l
logp
11.05
pka_strongest_acidic
4.13
pka_strongest_basic
-6.3
iupac
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4,5-dihydroxybenzoic acid
average_mass
562.8223
mono_mass
562.402210216
smiles
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=C(O)C(O)=CC(=C1)C(O)=O
formula
C37H54O4
inchi
InChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32-23+
inchikey
VEPICJBQCOUQPI-IRVXXIIISA-N
polar_surface_area
77.76
refractivity
180.53
polarizability
70.25
rotatable_bond_count
18
acceptor_count
4
donor_count
3
physiological_charge
-1
formal_charge
0
Ubiquinone Biosynthesis
SMP00065
map00130
Specdb::MsMs
178383
Specdb::MsMs
178384
Specdb::MsMs
178385
Specdb::MsMs
180702
Specdb::MsMs
180703
Specdb::MsMs
180704
Specdb::MsMs
2679157
Specdb::MsMs
2679158
Specdb::MsMs
2679159
Specdb::MsMs
3025875
Specdb::MsMs
3025876
Specdb::MsMs
3025877
Specdb::CMs
12720
Specdb::CMs
37911
Specdb::CMs
282030
Specdb::CMs
350363
Specdb::CMs
350364
Specdb::CMs
350365
Specdb::CMs
350366
Specdb::CMs
350367
Specdb::CMs
350368
Specdb::CMs
350369
Specdb::CMs
350370
Specdb::CMs
350371
Specdb::CMs
350372
Specdb::CMs
350373
Specdb::CMs
350374
HMDB01063
18081
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823