1.0
2010-04-08 22:12:40 UTC
2018-05-29 01:28:25 UTC
FDB016813
7-Hydroxy-5-methoxyflavan
Isolated from the pith of sago palm
(2S)-5-Methoxy flavan-7-ol
2H-1-Benzopyran-7-ol, 3,4-dihydro-5-methoxy-2-phenyl-
3,4-dihydro-5-Methoxy-2-phenyl-2H-1-benzopyran-7-ol
7-Hydroxy-5-methoxyflavan
C16H16O3
256.2964
256.109944378
5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-ol
5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-ol
35290-20-1
COC1=C2CCC(OC2=CC(O)=C1)C1=CC=CC=C1
InChI=1S/C16H16O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3
UNCVBXFEZHBZKN-UHFFFAOYSA-N
logp
3.47
logs
-4.02
solubility
2.47e-02 g/l
melting_point
Mp 96-97° (85-87°)
logp
3.62
pka_strongest_acidic
9.85
pka_strongest_basic
-4.6
iupac
5-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-ol
average_mass
256.2964
mono_mass
256.109944378
smiles
COC1=C2CCC(OC2=CC(O)=C1)C1=CC=CC=C1
formula
C16H16O3
inchi
InChI=1S/C16H16O3/c1-18-15-9-12(17)10-16-13(15)7-8-14(19-16)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3
inchikey
UNCVBXFEZHBZKN-UHFFFAOYSA-N
polar_surface_area
38.69
refractivity
73.16
polarizability
28.22
rotatable_bond_count
2
acceptor_count
3
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::CMs
11136
Specdb::CMs
45514
Specdb::CMs
146091
Specdb::MsMs
72264
Specdb::MsMs
72265
Specdb::MsMs
72266
Specdb::MsMs
131115
Specdb::MsMs
131116
Specdb::MsMs
131117
Specdb::MsMs
2690672
Specdb::MsMs
2690673
Specdb::MsMs
2690674
Specdb::MsMs
2988374
Specdb::MsMs
2988375
Specdb::MsMs
2988376
HMDB37686
#<Reference:0x0000555673721a40>