Q105132619

[object Object]
Name4-(2-{7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl}ethyl)-5h-furan-2-one
WikidataQ105132619
Mol. formulaC20H26O4
CAS registry number-
Mol. weight330.4188

Representations

Temporary LOTUS idLTS0039528
Name4-(2-{7,8-dimethyl-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-yl}ethyl)-5h-furan-2-one
Canonical SMILESCC1CCC23COC(=O)C2=CCCC3C1(C)CCC1=CC(=O)OC1
2D SMILESCC1CCC23COC(=O)C2=CCCC3C1(C)CCC1=CC(=O)OC1
IUPAC name4-(2-{7,8-dimethyl-3-oxo-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[4,4a-c]furan-7-yl}ethyl)-2,5-dihydrofuran-2-one
InChIInChI=1S/C20H26O4/c1-13-6-9-20-12-24-18(22)15(20)4-3-5-16(20)19(13,2)8-7-14-10-17(21)23-11-14/h4,10,13,16H,3,5-9,11-12H2,1-2H3
InChIKeyJPADNOYXVVHBCB-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1CC=C(C1)CCC2CCCC34C(=CCCC23)COC4

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Solidago  Solidago virgaurea Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Baccharis  Baccharis trinervis Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Gutierrezia  Gutierrezia texana Wikidata logo
Ref:
Wikidata logo

KingdomPhylumFamilyGenusLink to taxonomy
 Plantae  Tracheophyta  Asteraceae  Baccharis 
Ref:

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Solidago  Solidago gigantea Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsDiterpenoidsColensane and Clerodane diterpenoids

Molecular Properties

Total atom number50
Heavy atom number24
Bond count27
Number of carbons20
Minimal number of rings4
Maximal number of rings7

Molecular Descriptors

NP-likeness score 0.99
Alogp3.8
Alogp214.43
Apol 55.7446
Bpol 34.1714
EccentricConnectivityIndexDescriptor 454
FmfDescriptor 0.8333
Fsp3 0.7
FragmentComplexityDescriptor 2257.04
PetitjeanNumber 0.4545
LipinskiRuleOf5Failures 0
WienerPathNumber1228
Xlogp 4.118
ZagrebIndex 138
TopoPSA 52.6