Rutin


PubChem CID 5280805
Molecular Formula C27H30O16
Structure Compound Image
Synonyms
RUTIN
153-18-4
rutoside
Phytomelin
Birutan
Quercetin 3-rutinoside
Sophorin
Myrticolorin
Eldrin
Globulariacitrin
Ilixanthin
Osyritrin
Paliuroside
Tanrutin
Globularicitrin
Rutabion
Rutin trihydrate
3-Rutinosyl quercetin
Bioflavonoid
Violaquercitrin
Yunxianggan
Rutozyd
Venoruton
Melin
Rutine
3-Rhamnoglucosylquercetin
Birutan Forte
Oxyritin
Rutosido
Rutosidum
Rutinum
Rutinic acid
Quercetin-3-rutinoside
Quercetin 3-O-rutinoside
Novarrutina
Violaquercetrin
Rutinion acid
Quercitin 3-rutinoside
Quercetol 3-rhamnoglucoside
C.I. 75730
Birutin
Quercetin rhamnoglucosine
Vitamin P
3,3',4',5,7-Pentahydroxyflavone-3-rutinoside
quercetin-3-O-rutinoside
Quercetin-3beta-rutinoside
USAF CF-5
Quercetin 3-rhamnoglucoside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
UNII-5G06TVY3R7
Rutosid
Rutoside [INN]
5G06TVY3R7
CCRIS 7564
DTXSID3022326
CHEBI:28527
Quercetin 3-O-beta-D-rutinoside
Rutosidum [INN-Latin]
NSC 9220
NSC-9220
Rutosido [INN-Spanish]
EINECS 205-814-1
BRN 0075455
3-Rhamnoglucoside of 3,3',4',5,7-pentahydroxyflavone
AI3-19098
CHEMBL226335
DTXCID802326
5-18-05-00519 (Beilstein Handbook Reference)
Rutoside (INN)
2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
3-[[6-O-(6-Deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
4H-1-Benzopyran-4-one,3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
NCGC00160628-01
Rutosidum (INN-Latin)
Rutosido (INN-Spanish)
Flavone, 3,3',4',5,7-pentahydroxy-, 3-(O-rhamnosylglucoside)
RUTIN (USP-RS)
RUTIN [USP-RS]
Rutinoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
RUT
NSC9220
3-RHAMNOGLUCOSIDE OF 5,7,3',4'-TETRAHYDROXYFLAVONOL
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS-153-18-4
SMR000112560
Rutin [JAN:NF]
Neoisorutin
Not Applicable
Rutinoside, quercetin-3, beta-
hydroxyethylrutoside
Rutin (Rutoside)
Venoruton (TN)
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-mannopyranoside
MFCD00006830
Rutin,(S)
Rutin1541
3,3',4',5,7-Pentahydroxyflavone 3-rutinoside
RUTIN [VANDF]
207671-50-9
RUTIN [DSC]
RUTIN [MI]
Rutoside [INN:JAN:NF]
RUTOSIDE [WHO-DD]
beta-Quercetin-3-rutinoside
BIDD:PXR0020
SCHEMBL23243
4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
MLS000759398
MLS001424098
BIDD:ER0377
DivK1c_000644
MEGxp0_000068
Rutin from Sophora japonica L.
ACon1_000075
cid_5280805
HMS502A06
KBio1_000644
C05CA01
NINDS_000644
3,3',4',5,7-PENTAHYDROXYFLAVONE-3-RHAMNOGLUCOSIDE
HMS2051B06
3'4'5,7-tetOH-Flavone-3-rut
HY-N0148
Quercetin 3-O-beta-delta-rutinoside
Tox21_111945
Tox21_202602
BDBM50217942
Glucopyranoside, quercetin-3 6-O-alpha-L-rhamnopyranosyl-, beta-D
Quercetin, 3-(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside)
s2350
3,3',4',5,5',7-Hexahydroxyflavone (6-O-alpha-L-rhamnosyl-beta-D-glucoside)
AKOS015895432
Glucopyranoside, quercetin-3 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-
Quercetin, 3-(6-0-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside)
Tox21_111945_1
CCG-100999
CS-5573
DB01698
DS-9708
NC00249
IDI1_000644
NCGC00160628-02
NCGC00160628-03
NCGC00160628-12
NCGC00260150-01
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
methyltetrahydro-2H-pyran-2-yloxy)methyl)
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3
NS00005273
R0035
C05625
D08499
AB00374708-09
tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one
A809400
EN300-18388402
Q407857
SR-01000759399
-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-
Q-201691
SR-01000759399-5
A8241DA0-6EC6-48BA-BD10-3F7BD61D42CE
BRD-K20482099-001-01-1
BRD-K20482099-001-09-4
BRD-K20482099-001-11-0
quercetin 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside]
QUERCETIN 3-O-.ALPHA.-L-RHAMNOPYRANOSYL-.BETA.-D-GLUCOPYRANOSIDE
RUTIN (QUERCETIN-3-O-RUTINOSIDE) (CONSTITUENT OF GINKGO) [DSC]
2-(3,4-dihydroxyphenyl)-4,5-dihydroxy-3-(3,4,5-trihydroxy-6-((3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl)tetrahydropyran-2-yl)oxy-chromen-7-one
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one
2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-CHROMEN-4-ONE-3-YL 6-O-.ALPHA.-L-RHAMNOPYRANOSYL-.BETA.-D-GLUCOSIDE
4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]-oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-

Computed Descriptors


IUPAC Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
InChIKey IKGXIBQEEMLURG-NVPNHPEKSA-N

Computed Properties

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Molecular Weight 610.5 g/mol
XLogP3 -1.3
Hydrogen Bond Donor Count 10
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 6
Exact Mass 610.153
Monoisotopic Mass 610.153
Topological Polar Surface Area 266
Heavy Atom Count 43
Formal Charge 0
Complexity 1020
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1

Annotation

  • C - Cardiovascular system
  • C05 - Vasoprotectives
  • C05C - Capillary stabilizing agents
  • C05CA - Bioflavonoids
  • 1 pairs of Verified P450 and Rutin


    Insect Gene Symbol Validation Reference
    Helicoverpa zea CYP6B8 X