Q105128116

[object Object]
Name(2z,6e)-8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)octa-2,6-dienoic acid
WikidataQ105128116
Mol. formulaC19H26O3
CAS registry number-
Mol. weight302.4087

Representations

Temporary LOTUS idLTS0244712
Name(2z,6e)-8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)octa-2,6-dienoic acid
Canonical SMILESCC(C)=CCC/C(=C/CC/C(C)=C/Cc1ccoc1)C(=O)O
2D SMILESCC(C)=CCCC(=CCCC(C)=CCc1ccoc1)C(=O)O
IUPAC name(2Z,6E)-8-(furan-3-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)octa-2,6-dienoic acid
InChIInChI=1S/C19H26O3/c1-15(2)6-4-8-18(19(20)21)9-5-7-16(3)10-11-17-12-13-22-14-17/h6,9-10,12-14H,4-5,7-8,11H2,1-3H3,(H,20,21)/b16-10+,18-9-
InChIKeyJHNOTXHIYSVYSU-BDVCJNJRSA-N
Deep SMILEScould not be computed
Murcko Frameworko1cccc1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Plagiocheilus  Plagiocheilus bogotensis Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Terpenoids|Terpenoids|Diterpenoids|

Molecular Properties

Total atom number48
Heavy atom number22
Bond count22
Number of carbons19
Minimal number of rings1
Maximal number of rings1

Molecular Descriptors

NP-likeness score 1.47
Alogp5.56
Alogp230.93
Apol 53.1826
Bpol 31.2974
EccentricConnectivityIndexDescriptor 481
FmfDescriptor 0.2273
Fsp3 0.4211
FragmentComplexityDescriptor 1842.03
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber1353
Xlogp 4.521
ZagrebIndex 98
TopoPSA 50.44