Showing NP-Card for 3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside] (NP0335306)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2024-09-11 00:59:42 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2024-09-11 00:59:42 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0335306 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | 3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside] | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Based on a literature review very few articles have been published on 3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside]. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0335306 (3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside])
Mrv2104 05262303312D
46 50 0 0 0 0 999 V2000
-3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8592 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 1 1 0 0 0 0
12 5 2 0 0 0 0
12 6 1 0 0 0 0
13 7 2 0 0 0 0
13 8 1 0 0 0 0
14 7 1 0 0 0 0
15 9 1 0 0 0 0
16 9 2 0 0 0 0
16 12 1 0 0 0 0
17 8 2 0 0 0 0
18 5 1 0 0 0 0
19 6 2 0 0 0 0
20 10 1 0 0 0 0
21 14 2 0 0 0 0
21 15 1 0 0 0 0
21 17 1 0 0 0 0
22 11 1 0 0 0 0
23 20 1 0 0 0 0
24 22 1 0 0 0 0
25 23 1 0 0 0 0
26 24 1 0 0 0 0
27 25 1 0 0 0 0
28 18 2 0 0 0 0
28 19 1 0 0 0 0
29 26 1 0 0 0 0
30 27 1 0 0 0 0
31 14 1 0 0 0 0
32 15 2 0 0 0 0
33 22 1 0 0 0 0
34 23 1 0 0 0 0
35 24 1 0 0 0 0
36 25 1 0 0 0 0
37 26 1 0 0 0 0
38 27 1 0 0 0 0
39 2 1 0 0 0 0
39 18 1 0 0 0 0
40 3 1 0 0 0 0
40 19 1 0 0 0 0
41 4 1 0 0 0 0
41 28 1 0 0 0 0
42 10 1 0 0 0 0
42 29 1 0 0 0 0
43 11 1 0 0 0 0
43 29 1 0 0 0 0
44 13 1 0 0 0 0
44 30 1 0 0 0 0
45 16 1 0 0 0 0
45 17 1 0 0 0 0
46 20 1 0 0 0 0
46 30 1 0 0 0 0
M END
3D SDF for NP0335306 (3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside])
Mrv2104 05262303312D
46 50 0 0 0 0 999 V2000
-3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8592 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1447 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 1 1 0 0 0 0
12 5 2 0 0 0 0
12 6 1 0 0 0 0
13 7 2 0 0 0 0
13 8 1 0 0 0 0
14 7 1 0 0 0 0
15 9 1 0 0 0 0
16 9 2 0 0 0 0
16 12 1 0 0 0 0
17 8 2 0 0 0 0
18 5 1 0 0 0 0
19 6 2 0 0 0 0
20 10 1 0 0 0 0
21 14 2 0 0 0 0
21 15 1 0 0 0 0
21 17 1 0 0 0 0
22 11 1 0 0 0 0
23 20 1 0 0 0 0
24 22 1 0 0 0 0
25 23 1 0 0 0 0
26 24 1 0 0 0 0
27 25 1 0 0 0 0
28 18 2 0 0 0 0
28 19 1 0 0 0 0
29 26 1 0 0 0 0
30 27 1 0 0 0 0
31 14 1 0 0 0 0
32 15 2 0 0 0 0
33 22 1 0 0 0 0
34 23 1 0 0 0 0
35 24 1 0 0 0 0
36 25 1 0 0 0 0
37 26 1 0 0 0 0
38 27 1 0 0 0 0
39 2 1 0 0 0 0
39 18 1 0 0 0 0
40 3 1 0 0 0 0
40 19 1 0 0 0 0
41 4 1 0 0 0 0
41 28 1 0 0 0 0
42 10 1 0 0 0 0
42 29 1 0 0 0 0
43 11 1 0 0 0 0
43 29 1 0 0 0 0
44 13 1 0 0 0 0
44 30 1 0 0 0 0
45 16 1 0 0 0 0
45 17 1 0 0 0 0
46 20 1 0 0 0 0
46 30 1 0 0 0 0
M END
> <DATABASE_ID>
NP0335306
> <DATABASE_NAME>
NP-MRD
> <SMILES>
COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1
> <INCHI_IDENTIFIER>
InChI=1/C30H36O16/c1-11-22(33)24(35)26(37)29(43-11)42-10-20-23(34)25(36)27(38)30(46-20)44-13-7-14(31)21-15(32)9-16(45-17(21)8-13)12-5-18(39-2)28(41-4)19(6-12)40-3/h5-9,11,20,22-27,29-31,33-38H,10H2,1-4H3
> <INCHI_KEY>
QVXXLWMUTXHCGR-UHFFFAOYNA-N
> <FORMULA>
C30H36O16
> <MOLECULAR_WEIGHT>
652.602
> <EXACT_MASS>
652.200335079
> <JCHEM_ACCEPTOR_COUNT>
16
> <JCHEM_ATOM_COUNT>
82
> <JCHEM_AVERAGE_POLARIZABILITY>
64.7390998340816
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
7
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
5-hydroxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one
> <JCHEM_LOGP>
-0.4547531139999999
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.912085701663653
> <JCHEM_PKA_STRONGEST_ACIDIC>
7.314140996879627
> <JCHEM_PKA_STRONGEST_BASIC>
-3.612182351683661
> <JCHEM_POLAR_SURFACE_AREA>
232.51999999999992
> <JCHEM_REFRACTIVITY>
153.3366
> <JCHEM_ROTATABLE_BOND_COUNT>
9
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0335306 (3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside])HEADER PROTEIN 26-MAY-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 26-MAY-23 0 HETATM 1 C UNK 0 -6.668 -6.930 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 14.671 -0.770 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 12.003 -5.390 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 13.337 -4.620 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 10.669 0.000 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 9.336 -2.310 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 2.667 1.540 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 4.001 -0.770 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 8.002 1.540 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -5.335 -7.700 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 9.336 -0.770 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 4.001 2.310 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 6.668 2.310 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 8.002 0.000 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 5.335 0.000 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 12.003 -0.770 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 10.669 -3.080 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 0.000 -4.620 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 5.335 1.540 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -5.335 -9.240 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.001 -10.010 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -2.667 -9.240 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 12.003 -2.310 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -2.667 -7.700 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 4.001 3.850 0.000 0.00 0.00 O+0 HETATM 32 O UNK 0 6.668 3.850 0.000 0.00 0.00 O+0 HETATM 33 O UNK 0 -6.668 -10.010 0.000 0.00 0.00 O+0 HETATM 34 O UNK 0 1.334 -6.930 0.000 0.00 0.00 O+0 HETATM 35 O UNK 0 -4.001 -11.550 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 4.001 -5.390 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 -1.334 -10.010 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 4.001 -2.310 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 13.337 0.000 0.000 0.00 0.00 O+0 HETATM 40 O UNK 0 10.669 -4.620 0.000 0.00 0.00 O+0 HETATM 41 O UNK 0 13.337 -3.080 0.000 0.00 0.00 O+0 HETATM 42 O UNK 0 -1.334 -6.930 0.000 0.00 0.00 O+0 HETATM 43 O UNK 0 -4.001 -6.930 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 1.334 -0.770 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 6.668 -0.770 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 0.000 -3.080 0.000 0.00 0.00 O+0 CONECT 1 11 CONECT 2 39 CONECT 3 40 CONECT 4 41 CONECT 5 12 18 CONECT 6 12 19 CONECT 7 13 14 CONECT 8 13 17 CONECT 9 15 16 CONECT 10 20 42 CONECT 11 1 22 43 CONECT 12 5 6 16 CONECT 13 7 8 44 CONECT 14 7 21 31 CONECT 15 9 21 32 CONECT 16 9 12 45 CONECT 17 8 21 45 CONECT 18 5 28 39 CONECT 19 6 28 40 CONECT 20 10 23 46 CONECT 21 14 15 17 CONECT 22 11 24 33 CONECT 23 20 25 34 CONECT 24 22 26 35 CONECT 25 23 27 36 CONECT 26 24 29 37 CONECT 27 25 30 38 CONECT 28 18 19 41 CONECT 29 26 42 43 CONECT 30 27 44 46 CONECT 31 14 CONECT 32 15 CONECT 33 22 CONECT 34 23 CONECT 35 24 CONECT 36 25 CONECT 37 26 CONECT 38 27 CONECT 39 2 18 CONECT 40 3 19 CONECT 41 4 28 CONECT 42 10 29 CONECT 43 11 29 CONECT 44 13 30 CONECT 45 16 17 CONECT 46 20 30 MASTER 0 0 0 0 0 0 0 0 46 0 100 0 END SMILES for NP0335306 (3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside])COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1 INCHI for NP0335306 (3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside])InChI=1/C30H36O16/c1-11-22(33)24(35)26(37)29(43-11)42-10-20-23(34)25(36)27(38)30(46-20)44-13-7-14(31)21-15(32)9-16(45-17(21)8-13)12-5-18(39-2)28(41-4)19(6-12)40-3/h5-9,11,20,22-27,29-31,33-38H,10H2,1-4H3 3D Structure for NP0335306 (3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside]) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C30H36O16 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 652.6020 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 652.20034 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 5-hydroxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 5-hydroxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | COC1=CC(=CC(OC)=C1OC)C1=CC(=O)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2O1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1/C30H36O16/c1-11-22(33)24(35)26(37)29(43-11)42-10-20-23(34)25(36)27(38)30(46-20)44-13-7-14(31)21-15(32)9-16(45-17(21)8-13)12-5-18(39-2)28(41-4)19(6-12)40-3/h5-9,11,20,22-27,29-31,33-38H,10H2,1-4H3 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | QVXXLWMUTXHCGR-UHFFFAOYNA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||