LITHOSPERMIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H22O12
Molecular Weight	538.4564
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)[C@@H](CC1=CC=C(O)C(O)=C1)OC(=O)\C=C\C2=C3[C@@H]([C@H](OC3=C(O)C=C2)C4=CC=C(O)C(O)=C4)C(O)=O

InChI

InChIKey=UJZQBMQZMKFSRV-RGKBJLTCSA-N

InChI=1S/C27H22O12/c28-15-5-1-12(9-18(15)31)10-20(26(34)35)38-21(33)8-4-13-2-7-17(30)25-22(13)23(27(36)37)24(39-25)14-3-6-16(29)19(32)11-14/h1-9,11,20,23-24,28-32H,10H2,(H,34,35)(H,36,37)/b8-4+/t20-,23+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H22O12
Molecular Weight	538.4564
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
A search for anti-viral properties in Panamanian medicinal plants. The effects on HIV and its essential enzymes.	1999 Jan	10075118
Isolation of two highly potent and non-toxic inhibitors of human immunodeficiency virus type 1 (HIV-1) integrase from Salvia miltiorrhiza.	2002 Jul	12076754
HIV-1 integrase inhibitory substances from Coleus parvifolius.	2003 Mar	12672152
Lithospermic acid as a novel xanthine oxidase inhibitor has anti-inflammatory and hypouricemic effects in rats.	2008 Nov 25	18694741

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 21:40:25 UTC 2023` Edited by `admin` on `Fri Dec 15 21:40:25 UTC 2023`
Record UNII	100IP83JAC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LITHOSPERMIC ACID

Common Name

English

3-BENZOFURANCARBOXYLIC ACID, 4-((1E)-3-((1R)-1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHOXY)-3-OXO-1-PROPENYL)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-, (2S,3S)-

Common Name

English

(+)-LITHOSPERMIC ACID

Common Name

English

3-BENZOFURANCARBOXYLIC ACID, 4-(3-(1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHOXY)-3-OXO-1-PROPENYL)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-

Common Name

English

3-BENZOFURANCARBOXYLIC ACID, 4-((1E)-3-((1R)-1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHOXY)-3-OXO-1-PROPEN-1-YL)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-, (2S,3S)-

Common Name

English

LITHOSPERMIC ACID, (+)-

Common Name

English

LITHOSPERMIC ACID A

Common Name

English

4-(3-(1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHOXY)-3-OXO-1-PROPENYL)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-3-BENZOFURANCARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

CAS

28831-65-4

Created by admin on Fri Dec 15 21:40:25 UTC 2023 , Edited by admin on Fri Dec 15 21:40:25 UTC 2023

PRIMARY

FDA UNII

100IP83JAC

Created by admin on Fri Dec 15 21:40:25 UTC 2023 , Edited by admin on Fri Dec 15 21:40:25 UTC 2023

PRIMARY

EPA CompTox

DTXSID701314665

Created by admin on Fri Dec 15 21:40:25 UTC 2023 , Edited by admin on Fri Dec 15 21:40:25 UTC 2023

PRIMARY

PUBCHEM

6441498

Created by admin on Fri Dec 15 21:40:25 UTC 2023 , Edited by admin on Fri Dec 15 21:40:25 UTC 2023

PRIMARY

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