(1Z,4Z)-germacrene B
PubChem CID: 6370843
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| Compound Synonyms | (1Z,4Z)-germacrene B, (1Z,5Z)-1,5-dimethyl-8-propan-2-ylidenecyclodeca-1,5-diene, (1Z,5Z)-8-isopropylidene-1,5-dimethylcyclodeca-1,5-diene, CHEBI:49655, germacreneB,1,5-dimethyl-8-(1-methylethylidene)-1,5-cyclodecadiene, 15423-57-1, (1Z,4Z)-germacra-1(10),4,7(11)-triene, Germacratriene, (1Z,4Z)-germacra-1(10),4,7(11)-triene (1Z,5Z)-1,5-dimethyl-8-(propan-2-ylidene)cyclodeca-1,5-diene, (1Z,5Z)-1,5-dimethyl-8-(propan-2-ylidene)cyclodeca-1,5-diene, 1,5-Cyclodecadiene, 1,5-dimethyl-8-(1-methylethylidene)-, (E,E)-, (1E,4E)-germacra-1(10),4,7(11)-triene, UNII-ML9S6L9M3X, LMPR0103090011, NS00121785, Q27121630 |
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| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Description | Constituent of the peel oil of yuzu Citrus junos. Germacrene B is found in many foods, some of which are pepper (spice), lime, citrus, and common oregano. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 296.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1Z,5Z)-1,5-dimethyl-8-propan-2-ylidenecyclodeca-1,5-diene |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 4.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GXEGJTGWYVZSNR-OMQMMEOVSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.106 |
| Rotatable Bond Count | 0.0 |
| Logd | 5.614 |
| Synonyms | (1E,4E)-germacra-1(10),4,7(11)-triene, (1E,4E)-germacrene B, (1E,5E)-8-isopropylidene-1,5-dimethylcyclodeca-1,5-diene, (1Z,5Z)-8-Isopropylidene-1,5-dimethylcyclodeca-1,5-diene, (E,E)-germacra-1(10),4,7(11)-triene, (e,e)-germacrene b, Germacratriene, Germacrene B, Trans,trans-germacrene b, (1E,4E)-Germacra-1(10),4,7(11)-triene, (1E,4E)-Germacrene b, (1E,5E)-8-Isopropylidene-1,5-dimethylcyclodeca-1,5-diene, (e,e)-Germacra-1(10),4,7(11)-triene, (e,e)-Germacrene b, trans,trans-Germacrene b |
| Compound Name | (1Z,4Z)-germacrene B |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -4.742113399999999 |
| Inchi | InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6-,14-9- |
| Smiles | C/C/1=C/CC/C(=C\CC(=C(C)C)CC1)/C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Germacrane sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Aurantiifolia (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Citrus Junos (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Craibiodendron Yunnanese (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Perilla Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all