ANPDB

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Lignoceric acid

Canonical Smiles	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI	InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
InChIKey	QZZGJDVWLFXDLK-UHFFFAOYSA-N
Formula	C₂₄H₄₈O₂
HBA	1
HBD	1
MW	368.65
Rotatable Bonds	22
TPSA	37.3
LogP	8.67
Number Rings	0
Number Aromatic Rings	0
Heavy Atom Count	26
Formal Charge	0
Fraction CSP3	0.96
Exact Mass	368.37
Number of Lipinski Rule Violations	1

#	Species	Family	Kingdom	NCBI Taxonomy ID
1	Quercus suber	Fagaceae	Plantae	58331
2	Juniperus phoenicea	Cupressaceae	Plantae	61308
3	Gilbertiodendron dewevrei	Caesalpinioideae	Plantae	162777
4	Erythrina addisoniae	Leguminosae/Fabaceae	Plantae	2590682
5	Anthocleista liebrechtsiana	Loganiaceae	Plantae	2708715
6	Trichilia monadelpha	Meliaceae	Plantae	1640473
7	Glyphaea brevis	Tiliaceae	Plantae	93769

Showing of synonyms

Shammari LA, Mamun AA, et al. (2019). Alkaloid Profiling of Hippeastrum Cultivars by GC-MS, Isolation of Amaryllidaceae Alkaloids and Evaluation of Their Cytotoxicity. Records of Natural Products,2019, 14, 154-159. [View]
Simões R, Miranda I, et al. (2021). Chemical composition of leaf cutin in six Quercus suber provenances. Phytochemistry, 2021, 181, 112570. [View] [PubMed]
Nasri N, Tlili N, et al. (2011). Chemical compounds from Phoenician juniper berries (Juniperus phoenicea). Natural Product Research,2011,25(18),1733-1742. [View]
Mbosso EJ, Wintjens R, et al. (2013). Chemical constituents from Glyphaea brevis and Monodora myristica: chemotaxonomic significance.. Chemistry & biodiversity,2013, 10(2), 224-232. [View] [PubMed]
Talla E, Yankep E, et al. (2014). Chemical constituents from root barks of Erythrina mildbraedii and stem barks of Erythrina addisoniae. Bull. Chem. Soc. Ethiop. 2014, 28(1), 155-159. [View]
Djoumessi AK, Nono RN, et al. (2023). Constituents of the Stem Bark of Trichilia monadelpha (Thonn.) J. J. De Wilde (Meliaceae) and Their Antibacterial and Antiplasmodial Activities. Metabolites 2023, 13, 298. [View] [PubMed]
Stephanie DM, Stéphane FFY, et al. (2022). Dewerin and gilbertionol two new secondary metabolites from the stem bark of Gilbertiodendron dewevrei (De Wild) J. Leonard.. Natural product research,2022, 36(1), 214-222. [View] [PubMed]

Pubchem: 11197

Kegg Ligand: C08320

Chebi: 28866

Nmrshiftdb2: 60018597

Metabolights: MTBLC28866

Pdb Ligand: BZV

CPRiL: 2313

No scaffolds available.

No bioactivities available.

Absorption

Protein Name	UniProt ID	Entry Name	Species	#Pharmacophore Points	Probability (0.7 ≤ Tversky Score ≤ 1.0)
thiamine diphosphokinase	Q82ZE3	Q82ZE3_ENTFA	Enterococcus faecalis	3	0.9736
thiamine diphosphokinase	Q82ZE3	Q82ZE3_ENTFA	Enterococcus faecalis	3	0.9736
4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase	P9WNH5	HSAD_MYCTU	Mycobacterium tuberculosis	3	0.8542
4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase	P9WNH5	HSAD_MYCTU	Mycobacterium tuberculosis	3	0.8542
Pyrrolysine--tRNA ligase	Q8PWY1	PYLS_METMA	Methanosarcina mazei	2	0.7033
Pyrrolysine--tRNA ligase	Q8PWY1	PYLS_METMA	Methanosarcina mazei	2	0.7033
Isopenicillin N synthase	P05326	IPNS_EMENI	Emericella nidulans	2	0.7018
Isopenicillin N synthase	P05326	IPNS_EMENI	Emericella nidulans	2	0.7018