LOTUS: Natural Products Online

Q105276784

[object Object]

Name	1,1,3a,7-tetramethyl-1ah,2h,3h,4h,5h,6h,7bh-cyclopropa[a]naphthalene
Wikidata	Q105276784
Mol. formula	C15H24
CAS registry number	-
Mol. weight	204.3516

Representations

Temporary LOTUS id	LTS0273480
Name	1,1,3a,7-tetramethyl-1ah,2h,3h,4h,5h,6h,7bh-cyclopropa[a]naphthalene
Canonical SMILES	CC1=C2C3C(CCC2(C)CCC1)C3(C)C
2D SMILES	CC1=C2C3C(CCC2(C)CCC1)C3(C)C
IUPAC name	1,1,3a,7-tetramethyl-1H,1aH,2H,3H,3aH,4H,5H,6H,7bH-cyclopropa[a]naphthalene
InChI	InChI=1S/C15H24/c1-10-6-5-8-15(4)9-7-11-13(12(10)15)14(11,2)3/h11,13H,5-9H2,1-4H3
InChIKey	UPGLJTCDRBIZKP-UHFFFAOYSA-N
Deep SMILES	could not be computed
Murcko Framework	C1=C2C(CCC1)CCC3CC23

Organism taxonomy

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Conyza	Conyza incana

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lamiaceae	Ocimum	Ocimum gratissimum

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Eremanthus	Eremanthus arboreus

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Euphorbiaceae	Croton	Croton eluteria

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Ehretiaceae	Varronia	Varronia curassavica
Plantae	Tracheophyta	Ehretiaceae	Varronia	Varronia curassavica

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Scapaniaceae	Scapania	Scapania undulata

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Pulicaria	Pulicaria arabica

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Artemisia	Artemisia annua

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Eremanthus	Eremanthus arboreus

Chemical ontology

Pathway	Superclass	Class
Terpenoids	Sesquiterpenoids	Cycloeudesmane sesquiterpenoids

Molecular Properties

Total atom number	39
Heavy atom number	15
Bond count	17
Number of carbons	15
Minimal number of rings	3
Maximal number of rings	6

Molecular Descriptors

NP-likeness score	1
Alogp	4.32
Alogp2	18.65
Apol	42.403
Bpol	26.237
EccentricConnectivityIndexDescriptor	156
FmfDescriptor	0.7333
Fsp3	0.8667
FragmentComplexityDescriptor	1471
PetitjeanNumber	0.5
LipinskiRuleOf5Failures	1
WienerPathNumber	307
Xlogp	5.848
ZagrebIndex	92
TopoPSA	0