LOTUS: Natural Products Online

Q104200414

[object Object]

Name	2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl)propan-2-ol
Wikidata	Q104200414
Mol. formula	C15H26O
CAS registry number	-
Mol. weight	222.3669

Representations

Temporary LOTUS id	LTS0112371
Name	2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1h-naphthalen-2-yl)propan-2-ol
Canonical SMILES	CC1=C2CC(C(C)(C)O)CCC2(C)CCC1
2D SMILES	CC1=C2CC(C(C)(C)O)CCC2(C)CCC1
IUPAC name	2-(4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl)propan-2-ol
InChI	InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3
InChIKey	WMOPMQRJLLIEJV-UHFFFAOYSA-N
Deep SMILES	could not be computed
Murcko Framework	C1=C2CCCCC2CCC1

Organism taxonomy

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Magnoliaceae	Magnolia	Magnolia obovata

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Annonaceae	Guatteria	Guatteria friesiana

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Myrtaceae	Corymbia	Corymbia maculata

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Amyris	Amyris balsamifera

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Laggera	Laggera alata

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Parthenium	Parthenium argentatum

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Cupressaceae	Callitris	Callitris columellaris
Eukaryota	Viridiplantae	Streptophyta	Cupressaceae	Callitris	Callitris intratropica

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Cupressaceae	Callitris	Callitris intratropica
Eukaryota	Archaeplastida	Streptophyta	Cupressaceae	Callitris	Callitris columellaris

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Cupressaceae	Chamaecyparis	Chamaecyparis formosensis

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Cupressaceae	Cryptomeria	Cryptomeria japonica
Eukaryota	Archaeplastida	Streptophyta	Orchidaceae	Conchidium	Conchidium japonicum

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Cupressaceae	Cryptomeria	Cryptomeria japonica
Plantae	Tracheophyta	Orchidaceae	Conchidium	Conchidium japonicum

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Annonaceae	Cananga	Cananga odorata

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Cupressaceae	Thuja	Thuja occidentalis

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Zingiberaceae	Alpinia	Alpinia japonica

Chemical ontology

Pathway	Superclass	Class
Terpenoids	Sesquiterpenoids	Eudesmane sesquiterpenoids

Molecular Properties

Total atom number	42
Heavy atom number	16
Bond count	17
Number of carbons	15
Minimal number of rings	2
Maximal number of rings	3

Molecular Descriptors

NP-likeness score	1.41
Alogp	3.86
Alogp2	14.9
Apol	44.5386
Bpol	28.4234
EccentricConnectivityIndexDescriptor	183
FmfDescriptor	0.625
Fsp3	0.8667
FragmentComplexityDescriptor	1609.01
PetitjeanNumber	0.4286
LipinskiRuleOf5Failures	0
WienerPathNumber	396
Xlogp	4.04
ZagrebIndex	88
TopoPSA	20.23