Details of Natural Product (NP)

General Information of Natural Product (ID: NP1149)
Natural Product Name	3,6-Octadienal, 3,7-Dimethyl-
Synonyms	Isocitral; 3,6-Octadienal, 3,7-dimethyl-; Isogeranial; (3E)-3,7-dimethylocta-3,6-dienal; 1754-00-3; (3e)-3,7-dimethyl-3,6-octadienal; 3,7-Dimethyl-3,6-octadienal; 55722-59-3; b-Isogeranial; isocitral (z-); SCHEMBL228318; DTXSID5069045; CHEBI:171914; DTXSID201017498; (E)-3,7-dimethyl-3,6-octadienal; (E)-3,7-Dimethylocta-3,6-dienal; (Z)-3,7-dimethyl-3,6-octadienal; 72203-98-6; 3,6-Octadienal, 3,7-dimethyl-, (E)-; Q67879955 Click to Show/Hide
Formula	C₁₀H₁₆O
Weight	152.23
Structure
Structure	3D Structure Download		2D Structure Download
InChI	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5-6,8H,4,7H2,1-3H3/b10-6+
InChI Key	OJLMARCQPSGYNE-UXBLZVDNSA-N
Isomeric SMILES	CC(=CC/C=C(\\C)/CC=O)C
Canonical SMILES	CC(=CCC=C(C)CC=O)C
External Links	PubChem ID	6428928
External Links	CAS ID	1754-00-3

The Content Variation of Natural Product Induced by Different Factor(s)
Species Name: Pimenta pseudocaryophyllus
	Factor Name: Developmental Stage Variation				[1]
Species Info Factor Info
Experiment Detail		Two samples were collected in Sao Goncalo do Abaete, one in July 2000 and the other in November 2005, in periods of post-anthesis and preanthesis, respectively. Click to Show/Hide
Factor Function		Thirty compounds were detected in the samples collected in Sao Goncalo do Abaete. Among the identified compounds, 53.8% are sesquiterpenes and 42.3% are monoterpenes. The majority components in the two samples were neral and geranial. The sample in anthesis presented a lower percentage of neral (21.4%) and geranial (36.5%) than the sample in pre-anthesis, whose percentages of neral and geranial were 33.6% and 47.2%, respectively. Click to Show/Hide
Factor			Part	Location		NP Content
post-anthesis stage			Leaves	Sao Goncalo do Abaete, Brazil		NP Content: 0.7 %

References
1	Chemical Differences in the Essential Oil of Pimenta pseudocaryophyllus (Gomes) L. R. Landrum Leaves from Brazil