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COCONUT Compound

(-)-Germacrene D

CNP0224506.1 · C15H24 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name(-)-Germacrene D
IUPAC Name(1~{E},6~{E},8~{S})-8-isopropyl-1-methyl-5-methylene-cyclodeca-1,6-diene
COCONUT IDCNP0224506.1
CAS23986-74-5
InChIKeyGAIBLDCXCZKKJE-RXJOXMPGSA-N
InChIInChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1
SMILESC=C1/C=C/[C@H](C(C)C)CC/C(C)=C/CC1

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.89
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.53
NP-likeness3.27

Classification

NP PathwayTerpenoids
NP SuperclassSesquiterpenoids
NP ClassGermacrane sesquiterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassSesquiterpenoids

Reported in GR-MAPs Plants

Ocimum sanctum as “Ocimum tenuiflorum” in COCONUT
Catharanthus roseus as “Catharanthus roseus” in COCONUT
Centella asiatica as “Centella asiatica” in COCONUT
Ocimum basilicum as “Ocimum basilicum” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia Annua; Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Mentha piperita as “Mentha piperita” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Mentha Arvensis as “Mentha arvensis L.” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Piper auritum as “Piper auritum” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Ajuga chamaepitys as “Ajuga chamaepitys” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Cinnamomum verum as “Cinnamomum zeylanicum” in COCONUT
Cymbopogon martini as “Cymbopogon martinii” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT

References (594)

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  2. 10.1002/(SICI)1099-1026(199609)11:5<315::AID-FFJ594>3.0.CO;2-B
  3. 10.1002/(SICI)1099-1026(199705)12:3<211::AID-FFJ622>3.0.CO;2-5
  4. 10.1002/(SICI)1099-1026(199901/02)14:1<45::AID-FFJ774>3.0.CO;2-S
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  6. 10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q
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  11. 10.1002/(SICI)1099-1026(200001/02)15:1<47::AID-FFJ869>3.0.CO;2-9
  12. 10.1002/(SICI)1099-1565(199803/04)9:2<88::AID-PCA384>3.0.CO;2-4
  13. 10.1002/(SICI)1099-1565(200003/04)11:2<99::AID-PCA494>3.0.CO;2-9
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Showing 40 of 594. See all references on COCONUT.

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.