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LM ID | LMPK15020004 |
Common Name | 3-((8Z,11E,13Z)-pentadeca-8,11,13-trien-1-yl)catechol |
Systematic Name | 3-((8Z,11E,13Z)-pentadeca-8,11,13-trien-1-yl)benzene-1,2-diol |
Synonyms | - |
Exact Mass | |
Formula | C21H30O2 |
Category | Polyketides [PK] |
Main Class | Phenolic lipids [PK15] |
Sub Class | Alkyl catechols and derivatives [PK1502] |
PubChem CID | 71587307 |
InChIKey | IYROWZYPEIMDDN-XTUOKWOTSA-N
Show lipids differing only in stereochemistry/bond geometry |
InChI | 1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h2-5 ,7-8,15,17-18,22-23H,6,9-14,16H2,1H3/b3-2-,5-4+,8-7- |
SMILES | C1C=C(CCCCCCC/C=C\C/C=C/C=C\C)C(O)=C(O)C=1 |
Status | Active |
Calculated physicochemical properties (?): |
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| Heavy Atoms | 23 | Rings | 1 | Aromatic Rings | 1 | Rotatable Bonds | 11 |
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| van der Waals Molecular Volume | 350.34 | Topological Polar Surface Area | 40.46 | Hydrogen Bond Donors | 2 | Hydrogen Bond Acceptors | 2 |
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| logP | 6.06 | Molar Refractivity | 98.89 | | | | |
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