8(17),12-Labdadiene-15,16-dial
PubChem CID: 9904510
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| Compound Synonyms | 8(17),12-Labdadiene-15,16-dial, labdadiene, labda-8(17),12-diene-15,16-dial, CHEBI:170104, TZCSIFOYBLPUIF-FRKPEAEDSA-N, Labda-8beta(17),12E-diene-15,16-dial, (+)-(E)-8(17),12-Labdadiene-15,16-dial, (+)-(E)-8.beta.(17),12-Labdadiene-15,16-dial, (2E)-2-[2-(5,5,8a-trimethyl-2-methylene-decalin-1-yl)ethylidene]butanedial, (2E)-2-[2-(5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)ethylidene]butanedial, 2-[2-(5,5,8a-Trimethyl-2-methylidenedecahydronaphthalen-1-yl)ethylidene]butanedial, (2E)-2-[2-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene]butanedial, (E)-2-(2-((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)succinaldehyde, Butanedial, [2-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)ethylidene]-, [1S-[1.alpha.(E),4a.beta.,8a.alpha.]]-, Butanedial, [2-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethylidene]-, (2E)-, Butanedial, 2-[2-[(1S,4aS,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethylidene]-, (2E)- |
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| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of Alpinia galanga (greater galangal). 8(17),12-Labdadiene-15,16-dial is found in herbs and spices and ginger. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 486.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E)-2-[2-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene]butanedial |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 4.4 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C20H30O2 |
| Inchi Key | TZCSIFOYBLPUIF-FRKPEAEDSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 8(17),12-Labdadiene-15,16-dial, Labda-8beta(17),12E-diene-15,16-dial |
| Compound Name | 8(17),12-Labdadiene-15,16-dial |
| Kingdom | Organic compounds |
| Exact Mass | 302.225 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 302.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 302.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7,13-14,17-18H,1,5-6,8-12H2,2-4H3/b16-7+ |
| Smiles | CC1(CCCC2(C1CCC(=C)C2C/C=C(\CC=O)/C=O)C)C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:fooddb_chem_all