(-)-umbellulone (Q99653654)

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chemical compound

• (1R,5S)-umbellulone

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Language	Label	Description	Also known as
English	(-)-umbellulone	chemical compound	(1R,5S)-umbellulone

Statements

instance of

type of chemical entity

0 references

subclass of

thujane monoterpenoid

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part of

umbellulone

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chemical structure

(1R,5S)-Umbellulone.svg
512 × 515; 9 KB

0 references

mass

150.104465 dalton

1 reference

stated in

PubChem

PubChem CID

91195

language of work or name

English

title

Umbellulone (English)

retrieved

19 September 2016

chemical formula

C₁₀H₁₄O

1 reference

stated in

PubChem

PubChem CID

91195

language of work or name

English

title

Umbellulone (English)

retrieved

19 September 2016

canonical SMILES

CC1=CC(=O)C2(C1C2)C(C)C

1 reference

stated in

PubChem

PubChem CID

91195

language of work or name

English

title

Umbellulone (English)

retrieved

19 September 2016

isomeric SMILES

CC(C)[C@]12C[C@H]1C(C)=CC2=O

0 references

found in taxon

Umbellularia californica

3 references

stated in

Terpenoids in Umbellularia californica

stated in

Variation in chemical and physical properties during leaf development in california bay tree (Umbellularia californica): Predictions regarding palatability for deer

stated in

A monoterpene from Umbellularia californica

Tanacetum vulgare

1 reference

stated in

Chemotypes of tansy in Finland

Pimenta racemosa

1 reference

stated in

Volatile Leaf Oils of Caribbean Myrtaceae. I. Three Varieties ofPimenta racemosa(Miller) J. Moore of the Dominican Republic and the Commercial Bay Oil

Identifiers

InChI

InChI=1S/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3/t8-,10+/m0/s1

0 references

InChIKey

LTTVJAQLCIHAFV-WCBMZHEXSA-N

1 reference

stated in

ChEBI release 2020-09-01

CAS Registry Number

546-78-1

1 reference

stated in

CAS Common Chemistry

retrieved

31 December 2022

reference URL

https://commonchemistry.cas.org/detail?cas_rn=546-78-1

InChIKey

LTTVJAQLCIHAFV-WCBMZHEXSA-N

based on heuristic

InChIKey match

PubChem CID

442504

1 reference

matched by identifier from

InChIKey

InChIKey

LTTVJAQLCIHAFV-WCBMZHEXSA-N

ChEBI ID

9860

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3/t8-,10+/m0/s1

SureChEMBL ID

SCHEMBL435454

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LTTVJAQLCIHAFV-WCBMZHEXSA-N

UniChem compound ID

1072595

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID301016986

1 reference

matched by identifier from

InChIKey

InChIKey

LTTVJAQLCIHAFV-WCBMZHEXSA-N

Probes And Drugs ID

PD167097

0 references

 

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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