gamma-HIMACHALENE
PubChem CID
577062
Structure
Molecular Formula
Synonyms
- gamma-himachalene
- g-Himachalene
- himachal-4,10-diene
- 3,5,5,9-tetramethyl-2,4a,5,6,7,9a-hexahydro-1H-benzo[7]annulene
- .gamma.-HIMACHALENE
Molecular Weight
204.35 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Description
Gamma-himachalene is a himachalene.
gamma-Himachalene has been reported in Guatteria hispida, Pterocaulon virgatum, and other organisms with data available.
Chemical Structure Depiction
2,5,9,9-tetramethyl-3,4,4a,7,8,9a-hexahydrobenzo[7]annulene
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h6,10,13-14H,5,7-9H2,1-4H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
PUWNTRHCKNHSAT-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1=CC2C(CC1)C(=CCCC2(C)C)C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H24
Computed by PubChem 2.2 (PubChem release 2021.10.14)
53111-25-4
- gamma-himachalene
- g-Himachalene
- himachal-4,10-diene
- 3,5,5,9-tetramethyl-2,4a,5,6,7,9a-hexahydro-1H-benzo[7]annulene
- .gamma.-HIMACHALENE
- CHEBI:49224
- 2,5,9,9-tetramethyl-3,4,4a,7,8,9a-hexahydrobenzo[7]annulene
- DTXSID00967644
- 2,5,9,9-tetramethyl-3,4,4a,7,8,9a-hexahydrobenzo(7)annulene
- 3,5,5,9-Tetramethyl-2,4a,5,6,7,9a-hexahydro-1H-benzo(7)annulene
- DTXCID501395239
- LMPR0103480007
- Q27121544
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
204.35 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
4.2
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
204.187800766 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
204.187800766 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
304
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
267.00 to 268.00 °C. @ 760.00 mm Hg
The Good Scents Company Information System
Semi-standard non-polar
1500 , 1481 , 1471 , 1482 , 1468 , 1474 , 1500 , 1483 , 1479 , 1477 , 1477 , 1477 , 1477 , 1515 , 1480 , 1470 , 1476 , 1483 , 1476 , 1479 , 1482 , 1524 , 1476 , 1449 , 1479 , 1522 , 1470 , 1447 , 1476 , 1458 , 1475 , 1480 , 1469 , 1499.7 , 1475
Standard non-polar
1479 , 1468 , 1461 , 1499 , 1480 , 1468
Standard polar
1696 , 1723 , 1725 , 1737 , 1705 , 1705 , 1723 , 1700 , 1692 , 1711 , 1721
Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
Membrane
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=PUWNTRHCKNHSAT-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChEBIGamma-himachalenehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49224
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/gamma-Himachalenehttps://www.wikidata.org/wiki/Q27121544LOTUS Treehttps://lotus.naturalproducts.net/
- FooDBLICENSEFooDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (FooDB) and the original publication.https://foodb.ca/aboutgamma-Himachalenehttps://foodb.ca/compounds/FDB017399
- Human Metabolome Database (HMDB)LICENSEHMDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citinggamma-Himachalenehttp://www.hmdb.ca/metabolites/HMDB0038168
- Japan Chemical Substance Dictionary (Nikkaji)
- LIPID MAPSgamma-himachalenehttps://lipidmaps.org/databases/lmsd/LMPR0103480007Lipid Classificationhttps://www.lipidmaps.org/
- Natural Product Activity and Species Source (NPASS)
- Metabolomics Workbench
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law.gamma.-HIMACHALENEhttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase.gamma.-himachalenehttps://spectrabase.com/spectrum/EVd33rbmIXd(+).gamma.-Himachalenehttps://spectrabase.com/spectrum/LuJiTCCPSC1
- Rhea - Annotated Reactions DatabaseLICENSERhea has chosen to apply the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/). This means that you are free to copy, distribute, display and make commercial use of the database in all legislations, provided you credit (cite) Rhea.https://www.rhea-db.org/help/license-disclaimer
- Wikidataγ-himachalenehttps://www.wikidata.org/wiki/Q27121544
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403502368https://pubchem.ncbi.nlm.nih.gov/substance/403502368
CONTENTS