Sterculic acid

Synonyms: Sterculinic acid, "9,10-methylene-9-octadecenoic acid", "2-octyl-1-cyclopropene-1-octanoic acid", "8-(2-octylcyclopropen-1-yl)octanoic acid", "omega-(2-n-octylcycloprop-1-enyl)octanoic acid", "Sterculinsaeure", "ster-culic acid", "Sterculia-Saeure", "2-Octyl-1-cyclopropene-1-octanoic acid homopolymer"

Source: Sterculic acid is naturally found in plants such as Sterculia foetida, which is used as an anti-parasite drug in traditional Chinese medicine.

Identifiers:

IUPAC Name: 8-(2-octylcyclopropen-1-yl)octanoic acid
CAS Number: 738-87-4
PubChem ID: 12921
InChiKey: PQRKPYLNZGDCFH-UHFFFAOYSA-N
Canonical SMILES: CCCCCCCCC1=C(C1)CCCCCCCC(=O)O

Structural Properties:

Molecular Formula: C₁₉H₃₄O₂
Molecular Weight: 294,500

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 21

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
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Evidence Supporting This Chemical as an Emerging Contaminant

Syakti, A. D., Ahmed, M. M., Hidayati, N. V., Hilmi, E., Sulystyo, I., Piram, A., & Doumenq, P. (2013). Screening of emerging pollutants in the mangrove of Segara Anakan Nature Reserve, Indonesia. IERI Procedia, 5, 216-222.

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2D-structure

3D-structure