Q105347699

[object Object]
Name(4br,10as)-9-hydroxy-7-methoxy-11,11-dimethyl-4bh,10h,10ah-benzo[b]fluoren-5-one
WikidataQ105347699
Mol. formulaC20H20O3
CAS registry number-
Mol. weight308.3717

Representations

Temporary LOTUS idLTS0108451
Name(4br,10as)-9-hydroxy-7-methoxy-11,11-dimethyl-4bh,10h,10ah-benzo[b]fluoren-5-one
Canonical SMILESCOc1cc(O)c2c(c1)C(=O)[C@H]1c3ccccc3C(C)(C)[C@H]1C2
2D SMILESCOc1cc(O)c2c(c1)C(=O)C1c3ccccc3C(C)(C)C1C2
IUPAC name(4bR,10aS)-9-hydroxy-7-methoxy-11,11-dimethyl-4bH,5H,10H,10aH,11H-benzo[b]fluoren-5-one
InChIInChI=1S/C20H20O3/c1-20(2)15-7-5-4-6-12(15)18-16(20)10-13-14(19(18)22)8-11(23-3)9-17(13)21/h4-9,16,18,21H,10H2,1-3H3/t16-,18-/m0/s1
InChIKeyYFNNKWLFVPQLOR-WMZOPIPTSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc2c(c1)CC3c4ccccc4CC3C2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Cyperaceae  Carex  Carex distachya Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsStilbenoidsMonomeric stilbenes

Molecular Properties

Total atom number43
Heavy atom number23
Bond count26
Number of carbons20
Minimal number of rings4
Maximal number of rings10

Molecular Descriptors

NP-likeness score 1.02
Alogp3.93
Alogp215.45
Apol 50.9419
Bpol 24.7381
EccentricConnectivityIndexDescriptor 386
FmfDescriptor 0.7391
Fsp3 0.35
FragmentComplexityDescriptor 1610.03
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber1020
Xlogp 3.779
ZagrebIndex 134
TopoPSA 46.53