Q104921317

[object Object]
Name2-octadecyl-1h-indol-3-ol
WikidataQ104921317
Mol. formulaC26H43NO
CAS registry number-
Mol. weight385.6267

Representations

Temporary LOTUS idLTS0066696
Name2-octadecyl-1h-indol-3-ol
Canonical SMILESCCCCCCCCCCCCCCCCCCc1[nH]c2ccccc2c1O
2D SMILESCCCCCCCCCCCCCCCCCCc1[nH]c2ccccc2c1O
IUPAC name2-octadecyl-1H-indol-3-ol
InChIInChI=1S/C26H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-26(28)23-20-18-19-21-24(23)27-25/h18-21,27-28H,2-17,22H2,1H3
InChIKeyAYPYUZXAFNVUEC-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc2[nH]ccc2c1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Amaryllidaceae  Allium  Allium fistulosum Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
AlkaloidsTryptophan alkaloidsQuinoline alkaloids

Molecular Properties

Total atom number71
Heavy atom number28
Bond count29
Number of carbons26
Minimal number of rings2
Maximal number of rings3

Molecular Descriptors

NP-likeness score 1
Alogp9.97
Alogp299.36
Apol 76.3341
Bpol 47.6679
EccentricConnectivityIndexDescriptor 1009
FmfDescriptor 0.3214
Fsp3 0.6923
FragmentComplexityDescriptor 4428.02
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 2
WienerPathNumber3181
Xlogp 12.116
ZagrebIndex 126
TopoPSA 36.02