Q105013074

[object Object]
Name(1r,6ar,6bs,8ar,12as,12br,14ar)-4,4,6b,8a,11,11,12b,14a-octamethyl-1,2,3,5,6,6a,7,8,9,10,12,12a,13,14-tetradecahydropicen-1-ol
WikidataQ105013074
Mol. formulaC30H50O
CAS registry number-
Mol. weight426.7185

Representations

Temporary LOTUS idLTS0236392
Name(1r,6ar,6bs,8ar,12as,12br,14ar)-4,4,6b,8a,11,11,12b,14a-octamethyl-1,2,3,5,6,6a,7,8,9,10,12,12a,13,14-tetradecahydropicen-1-ol
Canonical SMILESCC1(C)CC[C@]2(C)CC[C@@]3(C)[C@H]4CCC5=C([C@H](O)CCC5(C)C)[C@]4(C)CC[C@]3(C)[C@H]2C1
2D SMILESCC1(C)CCC2(C)CCC3(C)C4CCC5=C(C(O)CCC5(C)C)C4(C)CCC3(C)C2C1
IUPAC name(1R,6aR,6bS,8aR,12aS,12bR,14aR)-4,4,6b,8a,11,11,12b,14a-octamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-icosahydropicen-1-ol
InChIInChI=1S/C30H50O/c1-25(2)13-14-27(5)15-17-29(7)22-10-9-20-24(21(31)11-12-26(20,3)4)28(22,6)16-18-30(29,8)23(27)19-25/h21-23,31H,9-19H2,1-8H3/t21-,22+,23+,27-,28-,29+,30-/m1/s1
InChIKeyGNPPEONGDJONRS-CZPOWKADSA-N
Deep SMILEScould not be computed
Murcko FrameworkC12=C(CCCC1)C3CCC4C5CCCCC5CCC4C3CC2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Phyllanthaceae  Leptopus  Leptopus chinensis Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsTriterpenoidsGlutinane triterpenoids

Molecular Properties

Total atom number81
Heavy atom number31
Bond count35
Number of carbons30
Minimal number of rings5
Maximal number of rings14

Molecular Descriptors

NP-likeness score 1
Alogp7.5
Alogp256.22
Apol 86.9417
Bpol 54.6603
EccentricConnectivityIndexDescriptor 589
FmfDescriptor 0.7097
Fsp3 0.9333
FragmentComplexityDescriptor 6295.01
PetitjeanNumber 0.4545
LipinskiRuleOf5Failures 1
WienerPathNumber2214
Xlogp 11.278
ZagrebIndex 194
TopoPSA 20.23