Q105216779

[object Object]
Name2-isopropyl-2h-furo[3,2-g]chromene-3,7-dione
WikidataQ105216779
Mol. formulaC14H12O4
CAS registry number-
Mol. weight244.2432

Representations

Temporary LOTUS idLTS0229376
Name2-isopropyl-2h-furo[3,2-g]chromene-3,7-dione
Canonical SMILESCC(C)C1Oc2cc3oc(=O)ccc3cc2C1=O
2D SMILESCC(C)C1Oc2cc3oc(=O)ccc3cc2C1=O
IUPAC name2-(propan-2-yl)-2H,3H,7H-furo[3,2-g]chromene-3,7-dione
InChIInChI=1S/C14H12O4/c1-7(2)14-13(16)9-5-8-3-4-12(15)17-10(8)6-11(9)18-14/h3-7,14H,1-2H3
InChIKeyPYTXVUBIYABGPG-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1c2cc3OCCc3cc2C=CC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Chenopodiaceae  Halocnemum  Halocnemum strobilaceum Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and Phenylpropanoids|Shikimates and PhenylpropanoidsCoumarins|CoumarinsFurocoumarins|Simple coumarins

Molecular Properties

Total atom number30
Heavy atom number18
Bond count20
Number of carbons14
Minimal number of rings3
Maximal number of rings6

Molecular Descriptors

NP-likeness score 1.03
Alogp3.01
Alogp29.08
Apol 35.8495
Bpol 18.8665
EccentricConnectivityIndexDescriptor 270
FmfDescriptor 0.7222
Fsp3 0.2857
FragmentComplexityDescriptor 718.04
PetitjeanNumber 0.4444
LipinskiRuleOf5Failures 0
WienerPathNumber569
Xlogp 3.085
ZagrebIndex 100
TopoPSA 56.51