PubChem CID | 5280805 |
Molecular Formula | C27H30O16 |
Structure |
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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- |
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 |
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 |
Insect | Gene Symbol | Validation | Reference |
---|---|---|---|
Helicoverpa zea | CYP6B8 | X |