PAEONILACTONE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C10H14O4
Molecular Weight	198.2158
Optical Activity	( - )
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](C)C(=O)O2

InChI

InChIKey=NODZICYHUGDVAM-IBNKKVAHSA-N

InChI=1S/C10H14O4/c1-5-6-3-8(11)10(2,13)4-7(6)14-9(5)12/h5-7,13H,3-4H2,1-2H3/t5-,6-,7-,10+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C10H14O4
Molecular Weight	198.2158
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 10:01:04 GMT 2023` Edited by `admin` on `Sat Dec 16 10:01:04 GMT 2023`
Record UNII	LQV4N956WD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PAEONILACTONE A

Common Name

English

(-)-PAEONILACTONE A

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

10081437

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

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FDA UNII

LQV4N956WD

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

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CAS

98751-79-2

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

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Related Record Type Details


					3Z3866YW6P

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: