(Q104250586)

English

(E)-3-[(1S,4R,7S,7aS)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

250.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

hydroxyvalerenic acid

1 reference

based on heuristic

inferred from InChI

Hydroxyvalerenic Acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₃

0 references

canonical SMILES

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

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isomeric SMILES

CC1=C2[C@H]([C@@H](C)CC[C@@H]2/C=C(\C)C(=O)O)[C@@H](O)C1

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found in taxon

Valeriana officinalis

6 references

stated in

GABA A receptors as in vivo substrate for the anxiolytic action of valerenic acid, a major constituent of valerian root extracts

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

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.

Identifiers

InChI

InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11+,12-,14+/m0/s1

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InChIKey

XJNQXTISSHEQKD-XCPWHCIGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XJNQXTISSHEQKD-XCPWHCIGSA-N

1 reference

(Q104250586)

(E)-3-[(1S,4R,7S,7aS)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid

Statements

Identifiers

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