|
Menu

COCONUT Compound

(+)-2-Carene

CNP0263147.3 · C10H16 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name(+)-2-Carene
IUPAC Name(1~{S},6~{R})-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene
COCONUT IDCNP0263147.3
CAS4497-92-1
InChIKeyIBVJWOMJGCHRRW-BDAKNGLRSA-N
InChIInChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
SMILESCC1=C[C@H]2[C@@H](CC1)C2(C)C

Properties

Molecular FormulaC10H16
Molecular Weight136.24
Exact Mass136.12520
Log P (ALogP)3.00
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.45
NP-likeness3.41

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassCarane monoterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassMonoterpenoids

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua L.” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT

References (4)

  1. 10.1007/S10886-012-0201-Z
  2. 10.1016/0031-9422(96)00119-7
  3. 10.1016/S0045-6535(99)00015-6
  4. 10.1016/s0045-6535(99)00015-6

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.