Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 20:04:21 UTC |
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Update Date | 2022-03-07 02:54:22 UTC |
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HMDB ID | HMDB0035128 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Parkeol |
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Description | Parkeol belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review a significant number of articles have been published on Parkeol. |
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Structure | [H][C@@]12CC[C@@]3([H])C(C)(C)C(O)CC[C@]3(C)C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCC=C(C)C InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,15,21-22,24-26,31H,9,11-14,16-19H2,1-8H3/t21-,22-,24-,25+,26?,28-,29-,30+/m1/s1 |
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Synonyms | Value | Source |
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4,4,14alpha-Trimethyl-5alpha-cholesta-9(11),24-dien-3beta-ol | HMDB | 5alpha-Lanosta-9(11),24-dien-3beta-ol | HMDB | Delta(9(11),24)-Lanostadien-3beta-ol | HMDB | Lanost-9(11)-en-3beta-ol | HMDB | 4,4,14a-Trimethyl-5a-cholesta-9(11),24-dien-3b-ol | HMDB | 4,4,14Α-trimethyl-5α-cholesta-9(11),24-dien-3β-ol | HMDB | 5a-Lanosta-9(11),24-dien-3b-ol | HMDB | 5Α-lanosta-9(11),24-dien-3β-ol | HMDB | delta(9(11),24)-Lanostadien-3b-ol | HMDB | Δ(9(11),24)-lanostadien-3β-ol | HMDB | Lanost-9(11)-en-3b-ol | HMDB | Lanost-9(11)-en-3β-ol | HMDB | Lanost-9(11)-en-3 beta-ol | HMDB | Lanost-9(11)-en-3-ol | HMDB |
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Chemical Formula | C30H50O |
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Average Molecular Weight | 426.7174 |
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Monoisotopic Molecular Weight | 426.386166222 |
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IUPAC Name | (2S,7R,10S,11S,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(17)-en-5-ol |
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Traditional Name | (2S,7R,10S,11S,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(17)-en-5-ol |
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CAS Registry Number | 514-45-4 |
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SMILES | [H][C@@]12CC[C@@]3([H])C(C)(C)C(O)CC[C@]3(C)C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CCC=C(C)C |
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InChI Identifier | InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,15,21-22,24-26,31H,9,11-14,16-19H2,1-8H3/t21-,22-,24-,25+,26?,28-,29-,30+/m1/s1 |
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InChI Key | MLVSYGCURCOSKP-LFXYTPDNSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Triterpenoids |
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Direct Parent | Triterpenoids |
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Alternative Parents | |
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Substituents | - Triterpenoid
- Cholesterol-skeleton
- Cholestane-skeleton
- 14-alpha-methylsteroid
- Hydroxysteroid
- 3-hydroxysteroid
- Steroid
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | 162 - 165 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatized | Show more...
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