This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

(-)-Sabinene

PubChem CID: 11051711

Connections displayed (default: 10).
Loading graph...

Compound Synonyms (-)-Sabinene, 10408-16-9, l-Sabinene, Sabinene, (-)-, 0W0K1SDY3N, (1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane, (1S)-sabinene, (1S,5S)-(-)-Sabinene, (1S,5S)-sabinene, 4(10)-Thujene, (-)-, (1S,5S)-thuj-4(10)-ene, (-)-(1S)-sabinene, (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane, UNII-0W0K1SDY3N, 4(10)-Thujene, (1S,5S)-(-)-, (1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane, CHEBI:50028, DTXSID501317813, Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)-, (1S,5S)-, (1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane (1S,5S)-thuj-4(10)-ene, (1S,5S)-1-Isopropyl-4-methylenebicyclo(3.1.0)hexane, SABINENE, (-)-(SG), (1S,5S)-4-methylidene-1-propan-2-ylbicyclo(3.1.0)hexane, (-)-4(10)-Thujene, (1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo(3.1.0)hexane, (1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo(3.1.0)hexane (1S,5S)-thuj-4(10)-ene, SNE, Sabinene,(-)-(sg), NDVASEGYNIMXJL-UWVGGRQHSA-N, DTXCID601747615, LMPR0102120035, NS00093945, C20242, Q27121779, (1s)-4-methylene-1-(1-methylethyl)-bicyclo[3.1.0]hexane
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC2CC12
Np Classifier Class Thujane monoterpenoids
Deep Smiles C=CCC[C@@][C@H]5C3))CC)C
Heavy Atom Count 10.0
Classyfire Class Prenol lipids
Description Constituent of Myristica fragrans (nutmeg). (+)-4(10)-Thujene is found in many foods, some of which are common sage, nutmeg, turmeric, and herbs and spices.
Scaffold Graph Node Level CC1CCC2CC12
Classyfire Subclass Monoterpenoids
Isotope Atom Count 0.0
Molecular Complexity 178.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
Prediction Hob 1.0
Class Prenol lipids
Veber Rule True
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 3.1
Superclass Lipids and lipid-like molecules
Subclass Monoterpenoids
Gsk 4 400 Rule True
Molecular Formula C10H16
Scaffold Graph Node Bond Level C=C1CCC2CC12
Prediction Swissadme 0.0
Inchi Key NDVASEGYNIMXJL-UWVGGRQHSA-N
Silicos It Class Soluble
Fcsp3 0.8
Logs -2.947
Rotatable Bond Count 1.0
Logd 2.739
Synonyms (+)-4(10)-Thujene, (+)-Sabinene, (1R,5R)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane, (1R,5R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane, (1R,5R)-Sabinene, (1R,5R)-thuj-4(10)-ene, D-Sabinene, (-)-4(10)-Thujene, (-)-Sabinene, (1S,5S)-1-isopropyl-4-methylenebicyclo[3.1.0]hexane, (1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane, (1S,5S)-Sabinene, (1S,5S)-thuj-4(10)-ene, (1S,5S)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexane, (1S,5S)-4-Methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane, (1S,5S)-Thuj-4(10)-ene, (1S,5S)-(-)-Sabinene, (1S,5S)-4-Methylene-1-(1-methylethyl)bicyclo[3.1.0]hexane, 1-Isopropyl-4-methylenebicyclo[3.1.0]hexane, 4(10)-Thujene, 4-Methylene-1-(1-methylethyl)bicyclo[3.1.0]hexane, Sabenene, Sabinen, Sabinene, l-sabinene
Esol Class Soluble
Functional Groups C=C(C)C
Compound Name (-)-Sabinene
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 136.125
Formal Charge 0.0
Monoisotopic Mass 136.125
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 136.23
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic homopolycyclic compounds
Lipinski Rule Of 5 True
Esol -2.5653756
Inchi InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m0/s1
Smiles CC(C)[C@@]12CCC(=C)[C@@H]1C2
Nring 2.0
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Bicyclic monoterpenoids
Np Classifier Superclass Monoterpenoids