Calceolarioside B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H26O11
Molecular Weight	478.4459
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1[C@@H](COC(=O)\C=C\C2=CC(O)=C(O)C=C2)O[C@@H](OCCC3=CC(O)=C(O)C=C3)[C@H](O)[C@H]1O

InChI

InChIKey=LFKQVVDFNHDYNK-FOXCETOMSA-N

InChI=1S/C23H26O11/c24-14-4-1-12(9-16(14)26)3-6-19(28)33-11-18-20(29)21(30)22(31)23(34-18)32-8-7-13-2-5-15(25)17(27)10-13/h1-6,9-10,18,20-27,29-31H,7-8,11H2/b6-3+/t18-,20-,21+,22-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H26O11
Molecular Weight	478.4459
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Protein kinase C alpha 20 Target ID: CHEMBL299 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9834166	Inhibitor 8297		4.6 µM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:33:06 GMT 2023` Edited by `admin` on `Sat Dec 16 15:33:06 GMT 2023`
Record UNII	B4UBY23XZJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Calceolarioside B

Common Name

English

Desrhamnosyl isoacteoside

Common Name

English

β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 6-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]

Systematic Name

English

β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 6-[3-(3,4-dihydroxyphenyl)-2-propenoate], (E)-

Systematic Name

English

[(2R,3S,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Systematic Name

English

ZINC-14512219

Common Name

English

Desrhamnosylisoacteoside

Common Name

English

Code System Code Type Description

PUBCHEM

5273567

Created by admin on Sat Dec 16 15:33:06 GMT 2023 , Edited by admin on Sat Dec 16 15:33:06 GMT 2023

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CAS

105471-98-5

Created by admin on Sat Dec 16 15:33:06 GMT 2023 , Edited by admin on Sat Dec 16 15:33:06 GMT 2023

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EPA CompTox

DTXSID70414938

Created by admin on Sat Dec 16 15:33:06 GMT 2023 , Edited by admin on Sat Dec 16 15:33:06 GMT 2023

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FDA UNII

B4UBY23XZJ

Created by admin on Sat Dec 16 15:33:06 GMT 2023 , Edited by admin on Sat Dec 16 15:33:06 GMT 2023

PRIMARY