Products for Research Use Only
RegisterLogin

Cinnamtannin B-1

CAT: 0572-TRC-C442155-10MGSize: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-C442155-10MGSize:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
88082-60-4
Synonyms
Cinnamtannin B-1
Hazard Statement
No Data Available
Smiles
O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc5O[C@@]6(Oc7cc(O)cc(O)c7[C@@H]([C@H]6O)c45)c8ccc(O)c(O)c8)c9ccc(O)c(O)c9)c2O[C@@H]1c%10ccc(O)c(O)c%10
Molecular Formula
C45 H36 O18
Molecular Weight
864.756
InChI
InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,4
Additionnal Information
IUPAC name: (2R,3R,4S,8S,14R,15R)-2,8-bis(3,4-dihydroxyphenyl)-4-((2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-8-yl)-3,4-dihydro-2H,14H-8,14-methanobenzo[7,8][1,3]dioxocino[4,5-h]chromene-3,5,11,13,15-pentaol
Shipping Conditions
Room Temperature

Chemical Information

Cinnamtannin B1

Cinnamtannin B-1 is a proanthocyanidin found in Cinnamomum cassia and Cinnamomum zeylanicum. It has a role as a cyclooxygenase 2 inhibitor and a plant metabolite.

CAS Number88082-60-4
PubChem CID475277
IUPAC Name(1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
Molecular FormulaC45H36O18
Molecular Weight864.8
XLogP3.3
Topological Polar Surface Area320
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count4
Heavy Atom Count63
Formal Charge0
Complexity1610
SMILES
C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C3C(=CC5=C4[C@@H]6[C@H]([C@](O5)(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
InChI
InChI=1S/C45H36O18/c46-18-10-27(54)33-31(11-18)62-45(17-3-6-22(49)26(53)9-17)44(59)38(33)36-32(63-45)14-29(56)35-37(39(58)41(61-43(35)36)16-2-5-21(48)25(52)8-16)34-28(55)13-23(50)19-12-30(57)40(60-42(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-41,44,46-59H,12H2/t30-,37+,38-,39-,40-,41-,44-,45+/m1/s1
InChIKey
BYSRPHRKESMCPO-LQNPQWRQSA-N
Chemical Structure
2D Structure
2D structure of Cinnamtannin B1
CAS: 88082-60-4
CID: 475277
Formula: C45H36O18
MW: 864.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight864.8
XLogP33.3
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count4
Exact Mass864.19016430
Monoisotopic Mass864.19016430
Topological Polar Surface Area320 Ų
Heavy Atom Count63
Formal Charge0
Complexity1610
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-A927690-50MGAurora B Inhibitor 1
KIT1630Di-b,b'-Chloroethylphosphoric Acid (1.0mg/ml in Toluene)
TRC-N372060-500MG1-Naphthyl b-D-glucopyranoside
TRC-X750455-100MG1,4-b-D-Xylotriitol
TRC-N377615-2.5GB-1-Naphthalenyl-boronic Acid
TRC-P398103-10MGPhyscion 1-b-D-Glucopyranoside
TRC-N377615-25GB-1-Naphthalenyl-boronic Acid
TRC-N372060-250MG1-Naphthyl b-D-glucopyranoside
TRC-A697855-100MGAnthra[2,1-b]thiophene
TRC-N377615-5GB-1-Naphthalenyl-boronic Acid

Alternative Products

CatalogName
HY-N12220-01Cinnamtannin D2
598522Cinnamtannin B1
MBS5824371Cinnamtannin B2
LDA63138-01Cinnamtannin A2
GTR19279218-01Cinnamtannin D1
HY-130237-01Cinnamtannin B-1

Popular Products