(Q104250624)

English

Acetoxyvalerenic acid (stn)

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Acetylvalerenolic acid

1 reference

based on heuristic

inferred from SMILES

3-[1-(acetyloxy)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

292.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Acetoxyvalerenic Acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₄

0 references

canonical SMILES

O=C(O)C(=CC1C2=C(C)CC(OC(=O)C)C2C(C)CC1)C

0 references

isomeric SMILES

CC(=O)O[C@H]1CC(C)=C2[C@H](/C=C(\C)C(=O)O)CC[C@@H](C)[C@H]21

0 references

found in taxon

Valeriana officinalis

7 references

stated in

Transport of a GABAA receptor modulator and its derivatives from Valeriana officinalis L. s. l. across an in vitro cell culture model of the blood-brain barrier.

stated in

Packed column SFC/UV versus HPLC/UV analysis of valerenic acids and valepotriates in extracts ofValeriana officinalis L.

stated in

Isolation and identification of valerenane sesquiterpenoids from Valeriana officinalis

stated in

Cytotoxic potential of valerian constituents and valerian tinctures

stated in

Iridoids and sesquiterpenoids from the roots of Valeriana officinalis

stated in

Seasonal variation of the essential oil, valerenic acid and derivatives, and velopotriates in Valeriana officinalis roots and rhizomes, and the selection of plants suitable for phytomedicines.

stated in

HPLC-based activity profiling approach for the discovery of GABAA receptor ligands using an automated two microelectrode voltage clamp assay on Xenopus oocytes

Identifiers

InChI

InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14+,16+/m1/s1

0 references

InChIKey

VBBXZFLAYWAXSK-RONQOHQESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

1 reference

matched by identifier from

InChIKey

VBBXZFLAYWAXSK-RONQOHQESA-N

(Q104250624)

Acetoxyvalerenic acid (stn)

Statements

Identifiers

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