(Q105118581)

English

(+)-Columbianetin acetate

group of stereoisomers with the chemical formula C₁₆H₁₆O₅

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

288.099773612 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₁₆O₅

0 references

canonical SMILES

O=C1OC2=C(C=C1)C=CC=3OC(CC32)C(OC(=O)C)(C)C

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found in taxon

Angelica biserrata

1 reference

stated in

Transport of Twelve Coumarins from Angelicae Pubescentis Radix across a MDCK-pHaMDR Cell Monolayer-An in Vitro Model for Blood-Brain Barrier Permeability.

Angelica pubescens

3 references

stated in

Transport of Twelve Coumarins from Angelicae Pubescentis Radix across a MDCK-pHaMDR Cell Monolayer-An in Vitro Model for Blood-Brain Barrier Permeability.

stated in

Absorption and transport of 6 coumarins isolated from the roots of Angelica pubescens f. biserrata in human Caco-2 cell monolayer model

stated in

HPLC-based activity profiling of Angelica pubescens roots for new positive GABAA receptor modulators in Xenopus oocytes.

Identifiers

InChI

InChI=1S/C16H16O5/c1-9(17)21-16(2,3)13-8-11-12(19-13)6-4-10-5-7-14(18)20-15(10)11/h4-7,13H,8H2,1-3H3

0 references

InChIKey

IQTTZQQJJBEAIM-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IQTTZQQJJBEAIM-UHFFFAOYSA-N

ChEBI ID

182216

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C16H16O5/c1-9(17)21-16(2,3)13-8-11-12(19-13)6-4-10-5-7-14(18)20-15(10)11/h4-7,13H,8H2,1-3H3

1 reference

Human Metabolome Database ID

HMDB0250409

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IQTTZQQJJBEAIM-UHFFFAOYSA-N

(Q105118581)

(+)-Columbianetin acetate

Statements

Identifiers

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