LICORISOFLAVAN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H34O5
Molecular Weight	438.5559
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC2=C(C[C@@H](CO2)C3=C(O)C(CC=C(C)C)=C(O)C=C3)C(OC)=C1CC=C(C)C

InChI

InChIKey=GDAAEAXMNLVRCZ-SFHVURJKSA-N

InChI=1S/C27H34O5/c1-16(2)7-9-20-23(28)12-11-19(26(20)29)18-13-22-25(32-15-18)14-24(30-5)21(27(22)31-6)10-8-17(3)4/h7-8,11-12,14,18,28-29H,9-10,13,15H2,1-6H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H34O5
Molecular Weight	438.5559
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Neuraminidase 21 Target ID: CHEMBL1795169 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25531232	Inhibitor 8297
Prevotella intermedia 1 Target ID: CHEMBL613261 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22074222	Inhibitor 8297
Porphyromonas gingivalis 1 Target ID: CHEMBL614414 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22074222	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:34:21 UTC 2023` Edited by `admin` on `Sat Dec 16 09:34:21 UTC 2023`
Record UNII	JW8U2YD8JL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LICORISOFLAVAN A

Common Name

English

7-O-METHYLLICORISOFLAVAN B

Common Name

English

7-O-METHYLLICORICIDIN

Common Name

English

4-((3R)-3,4-DIHYDRO-5,7-DIMETHOXY-6-(3-METHYL-2-BUTEN-1-YL)-2H-1-BENZOPYRAN-3-YL)-2-(3-METHYL-2-BUTEN-1-YL)-1,3-BENZENEDIOL

Systematic Name

English

1,3-BENZENEDIOL, 4-((3R)-3,4-DIHYDRO-5,7-DIMETHOXY-6-(3-METHYL-2-BUTEN-1-YL)-2H-1-BENZOPYRAN-3-YL)-2-(3-METHYL-2-BUTEN-1-YL)-

Systematic Name

English

(+)-7-O-METHYLLICORICIDIN

Common Name

English

Code System Code Type Description

PUBCHEM

196831