LOTUS: Natural Products Online

Q104253173

[object Object]

Name	(1s,2r)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.0²,⁷]dec-3-ene
Wikidata	Q104253173
Mol. formula	C15H24
CAS registry number	-
Mol. weight	204.3516

Representations

Temporary LOTUS id	LTS0167051
Name	(1s,2r)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.0²,⁷]dec-3-ene
Canonical SMILES	CC1=CCC2C3C(C(C)C)CC[C@]2(C)[C@@H]13
2D SMILES	CC1=CCC2C3C(C(C)C)CCC2(C)C13
IUPAC name	(1S,2R)-1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]dec-3-ene
InChI	InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11?,12?,13?,14-,15-/m0/s1
InChIKey	VLXDPFLIRFYIME-JDKRLRMNSA-N
Deep SMILES	could not be computed
Murcko Framework	C1=CC2C3CCCC2C3C1

Organism taxonomy

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Citrus	Citrus wilsonii

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Tanacetum	Tanacetum vulgare

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	Pinaceae	Larix	Larix sibirica

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Annonaceae	Xylopia	Xylopia sericea

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

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Cistaceae	Cistus	Cistus ladanifer
Eukaryota	Viridiplantae	Streptophyta	Cistaceae	Cistus	Cistus laurifolius
Eukaryota	Viridiplantae	Streptophyta	Cistaceae	Cistus	Cistus monspeliensis

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Cistaceae	Cistus	Cistus ladanifer
Eukaryota	Archaeplastida	Streptophyta	Cistaceae	Cistus	Cistus laurifolius
Eukaryota	Archaeplastida	Streptophyta	Cistaceae	Cistus	Cistus monspeliensis

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Cistaceae	Cistus	Cistus ladanifer
Plantae	Tracheophyta	Cistaceae	Cistus	Cistus ledon
Plantae	Tracheophyta	Cistaceae	Cistus	Cistus monspeliensis
Plantae	Tracheophyta	Cistaceae	Cistus	Cistus laurifolius

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Ericaceae	Rhododendron	Rhododendron dauricum

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Citrus	Citrus junos

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Rutaceae	Citrus	Citrus junos

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Apiaceae	Bupleurum	Bupleurum acutifolium

Chemical ontology

Pathway	Superclass	Class
Terpenoids	Sesquiterpenoids	Copaane 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	7

Molecular Descriptors

NP-likeness score	1
Alogp	4.17
Alogp2	17.38
Apol	42.403
Bpol	26.237
EccentricConnectivityIndexDescriptor	159
FmfDescriptor	0.6667
Fsp3	0.8667
FragmentComplexityDescriptor	1471
PetitjeanNumber	0.5
LipinskiRuleOf5Failures	1
WienerPathNumber	314
Xlogp	6.499
ZagrebIndex	90
TopoPSA	0