1.0
2020-04-20 17:59:07 UTC
2020-04-21 18:03:02 UTC
FDB112227
Androstenol
C19H30O
274.4409
274.229665582
(1S,2S,5R,7S,10R,11S,15R)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-13-en-5-ol
(1S,2S,5R,7S,10R,11S,15R)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-13-en-5-ol
[H][C@@]12CC=C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]([H])(O)CC[C@]12C
InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1
KRVXMNNRSSQZJP-PHFHYRSDSA-N
belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.
Androgens and derivatives
Organic compounds
Lipids and lipid-like molecules
Steroids and steroid derivatives
Androstane steroids
Aliphatic homopolycyclic compounds
3-alpha-hydroxysteroids
Cyclic alcohols and derivatives
Hydrocarbon derivatives
Secondary alcohols
3-alpha-hydroxysteroid
3-hydroxysteroid
Alcohol
Aliphatic homopolycyclic compound
Androgen-skeleton
Cyclic alcohol
Hydrocarbon derivative
Hydroxysteroid
Organic oxygen compound
Organooxygen compound
Secondary alcohol
3alpha-sterol
C19 steroids (androgens) and derivatives
logp
5.13
logs
-5.89
solubility
3.55e-04 g/l
logp
4.07
pka_strongest_acidic
18.3
pka_strongest_basic
-1.4
iupac
(1S,2S,5R,7S,10R,11S,15R)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-13-en-5-ol
average_mass
274.4409
mono_mass
274.229665582
smiles
[H][C@@]12CC=C[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@]([H])(O)CC[C@]12C
formula
C19H30O
inchi
InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1
inchikey
KRVXMNNRSSQZJP-PHFHYRSDSA-N
polar_surface_area
20.23
refractivity
84.23
polarizability
33.67
rotatable_bond_count
0
acceptor_count
1
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::CMs
17464
Specdb::CMs
38921
Specdb::CMs
156575
Specdb::MsMs
259995
Specdb::MsMs
259996
Specdb::MsMs
259997
Specdb::MsMs
279933
Specdb::MsMs
279934
Specdb::MsMs
279935
Specdb::MsMs
2764290
Specdb::MsMs
2764291
Specdb::MsMs
2764292
Specdb::MsMs
2941594
Specdb::MsMs
2941595
Specdb::MsMs
2941596
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