(Q60998696)

English

(3S,8S)-Falcarindiol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

heptadeca-1,9-dien-4,6-diyne-3,8-diol

1 reference

based on heuristic

inferred from SMILES

mass

260.177630008 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,8R,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,8S)-heptadeca-1,9-dien-4,6-diyne-3,8-diol

2 references

based on heuristic

inferred from InChIKey

1 reference

(3S,8S)-heptadeca-1,9-dien-4,6-diyne-3,8-diol

1 reference

based on heuristic

inferred from InChI

(3S,8R)-heptadeca-1,9-dien-4,6-diyne-3,8-diol

1 reference

based on heuristic

inferred from InChI

(3S,8S,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₂

0 references

canonical SMILES

OC(C#CC#CC(O)C=CCCCCCCC)C=C

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isomeric SMILES

CCCCCCC\C=C/[C@H](O)C#CC#C[C@@H](O)C=C

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found in taxon

Glehnia littoralis

2 references

stated in

Potent allelochemical falcalindiol from Glehnia littoralis F. Schm

stated in

Antibacterial and antifungal polyine compounds from Glehnia littoralis ssp. leiocarpa

Aegopodium podagraria

1 reference

stated in

Polyacetylene compounds from Aegopodium podagraria L. (author's transl)

Angelica japonica

1 reference

stated in

Antiproliferative constituents from umbelliferae plants. V. A new furanocoumarin and falcarindiol furanocoumarin ethers from the root of Angelica japonica

Anthriscus sylvestris

3 references

stated in

Lignans and coumarins from the roots of Anthriscus sylvestris and their increase of caspase-3 activity in HL-60 cells.

stated in

Antiproliferative constituents in umbelliferae plants. III. Constituents in the root and the ground part of Anthriscus sylvestris Hoffm

stated in

Antiproliferative constituents in umbelliferae plants. IV. Constituents in the fruits of Anthriscus sylvestris Hoffm

Cicuta virosa

1 reference

stated in

Polyacetylenes from water hemlock, Cicuta virosa.

Daucus carota

2 references

stated in

Structural and sensory characterization of compounds contributing to the bitter off-taste of carrots (Daucus carota L.) and carrot puree

stated in

Purple carrot (Daucus carota L.) polyacetylenes decrease lipopolysaccharide-induced expression of inflammatory proteins in macrophage and endothelial cells

Dendropanax arboreus

1 reference

stated in

Cytotoxic falcarinol oxylipins from Dendropanax arboreus

Niphogeton ternata

1 reference

stated in

Chemical constituents from the colombian medicinal plant Niphogeton ternata

Oenanthe crocata

1 reference

stated in

Polyacetylenverbindungen, 147. Die Polyine ausOenanthe crocata L

Oplopanax horridus

1 reference

stated in

Antimycobacterial polyynes of Devil's Club (Oplopanax horridus), a North American native medicinal plant

Opopanax chironius

1 reference

stated in

Polyacetylenverbindungen, CXLIII. Die Polyine ausOpopanax chironium Kch.

Neopanax arboreus

1 reference

stated in

Cytotoxic falcarinol oxylipins from Dendropanax arboreus

Peucedanum oreoselinum

1 reference

stated in

Peucelinendiol, a new acyclic diterpenoid from Peucedanum oreoselinum

Oreoselinum nigrum

1 reference

stated in

Peucelinendiol, a new acyclic diterpenoid from Peucedanum oreoselinum

1 reference

Identifiers

InChI

InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17-/m0/s1

0 references

InChIKey

QWCNQXNAFCBLLV-RCQSYPNMSA-N

1 reference

stated in

ChEBI release 2020-09-01

CAS Registry Number

55297-87-5

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

6436239

1 reference

matched by identifier from

InChIKey

QWCNQXNAFCBLLV-RCQSYPNMSA-N

ChEBI ID

69236

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17-/m0/s1

1 reference

1 reference

matched by identifier from

InChIKey

QWCNQXNAFCBLLV-RCQSYPNMSA-N

Probes And Drugs ID

PD167242

0 references

(Q60998696)

(3S,8S)-Falcarindiol

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