(Q27151351)

CHEBI:80856 (English)

(5R,6S,9R,10R)-10-isothiocyanato-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene

8 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

(5R,6S,9R,10S)-10-isothiocyanato-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₅NS

1 reference

CHEBI:80856 (English)

8 October 2016

canonical SMILES

CC1CCC(C(C12CCC(=C2)C)N=C=S)C(C)C

1 reference

CHEBI:80856 (English)

8 October 2016

isomeric SMILES

C[C@@H]1CC[C@H]([C@H]([C@@]12CCC(=C2)C)N=C=S)C(C)C

1 reference

Two New Sesquiterpene Isothiocyanates from the Marine Sponge Acanthella klethra

CHEBI:80856 (English)

8 October 2016

1 reference

Axinella cannabina

2 references

Axisonitrile-3, axisothiocyanate-3 and axamide-3. Sesquiterpenes with a novel spiro[4,5]decane skeleton from the sponge Axinella cannabina

Axisonitrile-3, axisothiocyanate-3 and axamide-3. Sesquiterpenes with a novel spiro[4,5]decane skeleton from the sponge Axinella cannabina

Acanthella cavernosa

3 references

New Isocyano and Isothiocyanato Terpene Metabolites from the Tropical Marine Sponge Acanthella cavernosa

The biosynthesis of sesquiterpene isocyanides and isothiocyanates in the marine sponge Acanthella cavernosa (Dendy); Evidence for dietary transfer to the dorid nudibranch Phyllidiella pustulosa

A comparison of sesquiterpene scaffolds across different populations of the tropical marine sponge Acanthella cavernosa.

Identifiers

InChI

InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(15(14)17-10-18)8-7-12(3)9-16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15-,16-/m1/s1

1 reference

CHEBI:80856 (English)

8 October 2016

2 references

CHEBI:80856 (English)

8 October 2016

ChEBI release 2020-09-01

2 references

Axisothiocyanate 3 (English)

8 October 2016

https://commonchemistry.cas.org/detail?cas_rn=59633-81-7

10 April 2021

1 reference

axisothiocyanate-3 (English)

8 October 2016

2 references

CHEBI:80856 (English)

matched by identifier from

8 October 2016

ChEBI ID

80856

mapping relation type

2 references

Axisothiocyanate 3 (English)

matched by identifier from

8 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(15(14)17-10-18)8-7-12(3)9-16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15-,16-/m1/s1

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL507622 (English)

8 October 2016

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

DTXCID80584732

0 references

KNApSAcK ID

C00021647

reason for deprecated rank

cannot be confirmed by other sources

1 reference

Axisothiocyanate 3 (English)

8 October 2016

1 reference

Axisothiocyanate 3 (English)