Q15425792

[object Object]
Name(1r,17s,18s,19r)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁶]icosa-2(10),3,8,11(16),12,14-hexaene
WikidataQ15425792
Mol. formulaC23H26O7
CAS registry number-
Mol. weight414.4492

Representations

Temporary LOTUS idLTS0086529
Name(1r,17s,18s,19r)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁶]icosa-2(10),3,8,11(16),12,14-hexaene
Canonical SMILESCOc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@H]2[C@@H](C)[C@H]1C
2D SMILESCOc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C1OC2C(C)C1C
IUPAC name(1R,17S,18S,19R)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁶]icosa-2(10),3,8,11(16),12,14-hexaene
InChIInChI=1S/C23H26O7/c1-10-11(2)19-13-8-15-21(29-9-28-15)23(27-6)17(13)16-12(18(10)30-19)7-14(24-3)20(25-4)22(16)26-5/h7-8,10-11,18-19H,9H2,1-6H3/t10-,11+,18-,19+/m0/s1
InChIKeyRNIZTMIJCBCDBR-XJSVZPCESA-N
Deep SMILEScould not be computed
Murcko FrameworkO1c2cc3-c4ccccc4C5OC(c3cc2OC1)CC5

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Schisandraceae  Kadsura  Kadsura interior Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Schisandraceae  Kadsura  Kadsura angustifolia Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Schisandraceae  Kadsura  Kadsura coccinea Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Schisandraceae  Kadsura  Kadsura coccinea Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsLignansDibenzocyclooctadienes lignans

Molecular Properties

Total atom number56
Heavy atom number30
Bond count34
Number of carbons23
Minimal number of rings5
Maximal number of rings17

Molecular Descriptors

NP-likeness score 1
Alogp3.77
Alogp214.18
Apol 63.4306
Bpol 41.8354
EccentricConnectivityIndexDescriptor 513
FmfDescriptor 0.6667
Fsp3 0.4783
FragmentComplexityDescriptor 2730.07
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber1947
Xlogp 3.813
ZagrebIndex 172
TopoPSA 64.61