Q104985307

[object Object]
Name3,4,5,11,19-pentamethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaene
WikidataQ104985307
Mol. formulaC24H30O7
CAS registry number-
Mol. weight430.4917

Representations

Temporary LOTUS idLTS0168024
Name3,4,5,11,19-pentamethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaene
Canonical SMILESCOc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C(OC)C(C)C(C)C2
2D SMILESCOc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C(OC)C(C)C(C)C2
IUPAC name3,4,5,11,19-pentamethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2(7),3,5,13,18-hexaene
InChIInChI=1S/C24H30O7/c1-12-8-14-9-16(25-3)21(27-5)23(28-6)18(14)19-15(20(26-4)13(12)2)10-17-22(24(19)29-7)31-11-30-17/h9-10,12-13,20H,8,11H2,1-7H3
InChIKeyDMSHFFHLWVNSCH-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1c2cc3-c4ccccc4CCCCc3cc2OC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Schisandraceae  Schisandra  Schisandra lancifolia Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsLignansDibenzocyclooctadienes lignans

Molecular Properties

Total atom number61
Heavy atom number31
Bond count34
Number of carbons24
Minimal number of rings4
Maximal number of rings10

Molecular Descriptors

NP-likeness score 1
Alogp4.44
Alogp219.73
Apol 67.8578
Bpol 46.2082
EccentricConnectivityIndexDescriptor 523
FmfDescriptor 0.6129
Fsp3 0.5
FragmentComplexityDescriptor 3166.07
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber2158
Xlogp 4.5
ZagrebIndex 168
TopoPSA 64.61