Results for:
PubChem ID: 9064

(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Mass-Spectra

Compound Details

Synonymous names
Cianidanolum
Dexcyanidanol
Biocatechin
Catechinate
Catechuate
Cianidanol
Cyanidanol
Procyanidin polymer
CATECHIN
Catergen
Cianidol
PFTAWBLQPZVEMU-DZGCQCFKSA-N
Transepar
Catechinic acid
Catechu
Gambier
Catechuic acid
Katha
Zyma
KXN
D-Catechin
D-Catechol
Catechine dl-form
Cyanidanol-3
AC1L1S8M
CATECHIN, D
Teafuran 30A
Catechin (flavan)
Catechol (flavan)
4c94
Cianidanolum [INN-Latin]
Prestwick_998
6282AF
KB 53
KB-53
NSC2819
SCHEMBL19741
8R1V1STN48
BDBM23416
BDBM60836
Cianidanol [INN:JAN]
Cutch (dye)
HMDB02780
HMS502A09
BIDD:ER0378
C15H14O6
CHEMBL311498
LP00219
Sunkatol No. 1
TNP00270
2,3-trans-catechin
C06562
CCRIS 6855
HMS1570A05
HMS1570D15
HMS2097A05
HMS3260L19
UNII-8R1V1STN48
ZINC119983
(+)-Cianidanol
(+)-Cyanidanol
2,3-Dihydro-4-desoxoquercetin
BC202817
BT000433
CS-3759
DR001090
DTXSID3022322
Epicatechin-(-)
HE314273
HE349313
HY-N0898
ND-0342
NSC 2819
NSC-2819
NSC755824
ST057176
ZB004048
(+)-catechin
(+)-Catechol
A809512
C 1251
Catechol (+)
CHEBI:15600
Spectrum_000395
Z 7300
(+)-Catechin Hydrate
AC-11608
AJ-11643
AK-77017
AN-44045
ANW-46737
AX8035583
BSPBio_000643
BSPBio_001624
CCG-40007
KBioGR_002245
KBioSS_000875
LS-39923
LS-53711
SC-46023
ST2407915
LMPK12020001
MFCD00075649
MFCD00149354
NINDS_000647
Prestwick0_000642
Prestwick0_000817
Prestwick1_000642
Prestwick1_000817
Prestwick2_000642
Prestwick2_000817
Prestwick3_000642
SPBio_000033
SPBio_002564
SPBio_002634
Spectrum2_000167
Spectrum3_000242
Spectrum4_001763
Spectrum5_000345
UNII-5J4Y243W61 component PFTAWBLQPZVEMU-DZGCQCFKSA-N
ZINC00119983
(+)-Catechin, analytical standard
(2R,3S)-Catechin
AI3-22757
C.I. Natural Brown 3
cid_107957
NSC-755824
ST24039239
TC-135482
( -)-Catechin
ACon1_001489
AKOS015960546
BPBio1_000709
D-(+)-Catechin
DivK1c_000647
Epitope ID:116872
KBio1_000647
KBio2_000875
KBio2_003443
KBio2_006011
KBio3_001124
Lopac0_000219
Q-100183
(+)-Cyanidanol-3
EU-0100219
FT-0636422
IDI1_000647
MLS001056745
SMR000326724
(+)-Cyanidol-3
trans3,3,4,5,7 pentahydroxyflavane
NATURAL BROWN 3 (CUTCH EXTRA OR GAMBIER)
NCI60_002303
Tox21_500219
YK-85 Light Yellow Powder 85
(+/-)-Catechin
154-23-4
3,3',4',5,7-Pentahydroxyflavane
321-01-7
catechin, (+)-
(+)-Cyanidan-3-ol
(+/-)-Catechin hydrate
Catechin-(+,-) hydrate
4211-28-3
5323-80-8
7295-85-4
MCULE-1532117250
NCGC00017331-01
NCGC00017331-02
NCGC00017331-03
NCGC00017331-04
NCGC00017331-05
NCGC00093689-01
NCGC00093689-02
NCGC00093689-03
NCGC00260904-01
3,3',4',5,7 Cflavanpentol
3,3',4',5,7-Flavanpentol
AB00051886_13
EINECS 205-825-1
EINECS 230-731-2
16198-00-8
Pharmakon1600-00210205
SDCCGMLS-0066526.P001
3-Cyanidanol, (+)-
SR-01000075742
(+)-Catechin, United States Pharmacopeia (USP) Reference Standard
100786-01-4
159761-73-6
225937-10-0
SBI-0050207.P003
MolPort-001-740-277
(2R,3S)-(+)-Catechin
SR-01000075742-14
2-(3,4-Dihydroxyphenyl)chromane-3,5,7-triol
(+)-3,3'4',5,7-flavanepentol
2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol #
trans-(+)-3,3',4',5,7-Flavanpentol
(2R,3S)-3,3',4',5,7-Flavanpentol
BRD-K58736316-001-07-9
( )-2-(3,4-Dihydroxyphenyl)-3,5,7-chromantriol
(+)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromantriol
(2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol
(3S,2R)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol
D4A04A57-7609-451F-A446-53F4DFAD15F5
(2R,3S)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
(2R,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol;hydrate
(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol
(+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol
(+)-(2R:3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol
trans-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
2-(3,4-dihydroxyphenyl)-3,4-dihydro-(2r-trans)-2h-1-benzopyran-7-triol
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
(2R-trans)-2-(3,4-Dihydroxyphenyl)-3-4-dihydro-2H-1-benzopyran-3,5,7-triol
(2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2R-trans)
(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;hydrate
(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
(2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol;hydrate
[2r,3s]-2-[3,4-dihydroxyphenyl]-3,4-dihydro-1[2h]-benzopyran-3,4,7-triol
2H-1-Benzopyran-3,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-
2H-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-
2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-trans)-
2H-1-benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-
InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s
Microorganism:

Yes

IUPAC name(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
SMILESC1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InchiInChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
FormulaC15H14O6
PubChem ID9064
Molweight290.271
LogP1.8
Atoms35
Bonds37
H-bond Acceptor6
H-bond Donor5
Chemical Classificationflavonoids alcohols

mVOC Specific Details

MS-Links
MS-MS Spectrum 179498
MS-MS Spectrum 5796 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Negative
MS-MS Spectrum 2129 - Quattro_QQQ 25V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 179497
MS-MS Spectrum 5795 - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) Positive
MS-MS Spectrum 179496
MS-MS Spectrum 201474
MS-MS Spectrum 201477
MS-MS Spectrum 226450
MS-MS Spectrum 201476
MS-MS Spectrum 181824
MS-MS Spectrum 201473
MS-MS Spectrum 181825
MS-MS Spectrum 201478
MS-MS Spectrum 201471
MS-MS Spectrum 2128 - Quattro_QQQ 10V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 201472
MS-MS Spectrum 226448
MS-MS Spectrum 226447
MS-MS Spectrum 201475
MS-MS Spectrum 181826
MS-MS Spectrum 226451
MS-MS Spectrum 226449
MS-MS Spectrum 2130 - Quattro_QQQ 40V Negative delivery=Flow_Injection analyzer=Triple_Quad
MS-MS Spectrum 226446

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAgaricus BlazeinaKoreaKim et al., 2008
FungiGanoderma LucidumnaKoreaKim et al., 2008
FungiLentinus EdodesnaKoreaKim et al., 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAgaricus BlazeinaHPLCYes
FungiGanoderma LucidumnaHPLCYes
FungiLentinus EdodesnaHPLCYes