9-HYDROXYPAEONILACTONE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H14O5
Molecular Weight	214.2152
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@](C)(O)C(=O)C[C@]1([H])[C@@H](CO)C(=O)O2

InChI

InChIKey=GXWWGYSWKSZETO-IBNKKVAHSA-N

InChI=1S/C10H14O5/c1-10(14)3-7-5(2-8(10)12)6(4-11)9(13)15-7/h5-7,11,14H,2-4H2,1H3/t5-,6-,7-,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C10H14O5
Molecular Weight	214.2152
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:01:03 UTC 2023` Edited by `admin` on `Sat Dec 16 10:01:03 UTC 2023`
Record UNII	RUR4VW32AM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

9-HYDROXYPAEONILACTONE A

Common Name

English

(3S,3AR,6S,7AR)-TETRAHYDRO-6-HYDROXY-3-(HYDROXYMETHYL)-6-METHYL-2,5(3H,4H)-BENZOFURANDIONE

Systematic Name

English

2,5(3H,4H)-BENZOFURANDIONE, TETRAHYDRO-6-HYDROXY-3-(HYDROXYMETHYL)-6-METHYL-, (3S,3AR,6S,7AR)-

Systematic Name

English

Code System Code Type Description

CAS

476487-58-8

Created by admin on Sat Dec 16 10:01:04 UTC 2023 , Edited by admin on Sat Dec 16 10:01:04 UTC 2023

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FDA UNII

RUR4VW32AM

Created by admin on Sat Dec 16 10:01:04 UTC 2023 , Edited by admin on Sat Dec 16 10:01:04 UTC 2023

PRIMARY

PUBCHEM

162624001

Created by admin on Sat Dec 16 10:01:04 UTC 2023 , Edited by admin on Sat Dec 16 10:01:04 UTC 2023

PRIMARY

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PAEONIA LACTIFLORA ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Compound tested and showed no antiproliferative effects against two human cancer cell lines, OVCA 429 ovarian cancer cells and BT 483 breast cancer cells (IC50 N 100 μM) by MTT assay.

Amount: