LOTUS: Natural Products Online

Q67880166

[object Object]

Name	2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-yl)propan-2-ol
Wikidata	Q67880166
Mol. formula	C15H26O
CAS registry number	-
Mol. weight	222.3669

Representations

Temporary LOTUS id	LTS0099428
Name	2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2h-naphthalen-2-yl)propan-2-ol
Canonical SMILES	CC1CCCC2(C)CCC(C(C)(C)O)C=C12
2D SMILES	CC1CCCC2(C)CCC(C(C)(C)O)C=C12
IUPAC name	2-(4a,8-dimethyl-2,3,4,4a,5,6,7,8-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/h10-12,16H,5-9H2,1-4H3
InChIKey	SRHDLIDOZXPROB-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	Lepidoziaceae	Lepidozia	Lepidozia vitrea

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lepidoziaceae	Bazzania	Bazzania japonica

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Angelica	Angelica archangelica

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lamiaceae	Teucrium	Teucrium polium

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Lepidoziaceae	Bazzania	Bazzania trilobata

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Helichrysum	Helichrysum italicum
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Helichrysum	Helichrysum italicum

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Asteraceae	Helichrysum	Helichrysum italicum
Eukaryota	Viridiplantae	Streptophyta	Asteraceae	Helichrysum	Helichrysum italicum

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Asteraceae	Helichrysum	Helichrysum italicum
Plantae	Tracheophyta	Asteraceae	Helichrysum	Helichrysum italicum

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	3.67
Alogp2	13.44
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	4.478
ZagrebIndex	88
TopoPSA	20.23