(Q105030010)

English

Khellactone, cis-(-)-

chemical compound

In more languages

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

262.084123548 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(-)-trans-Khellactone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(+)-cis-Khellactone

1 reference

based on heuristic

inferred from InChI

(+)-trans-Khellactone

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₄H₁₄O₅

0 references

canonical SMILES

O=C1OC2=C(C=C1)C=CC=3OC(C)(C)C(O)C(O)C32

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isomeric SMILES

CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](O)[C@@H]1O

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Peucedanum japonicum

1 reference

Cytotoxic pyranocoumarins from roots of Peucedanum japonicum

Phlojodicarpus sibiricus

1 reference

Khellactone derivatives from Phlojodicarpus sibiricus

Identifiers

InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13-/m0/s1

0 references

HKXQUNNSKMWIKJ-AAEUAGOBSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

HKXQUNNSKMWIKJ-AAEUAGOBSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13-/m0/s1

UniChem compound ID

1 reference

1 reference

matched by identifier from

HKXQUNNSKMWIKJ-AAEUAGOBSA-N

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