Manicol
Basic information
- CAS
76235-60-4- Standard SMILES
C=C(C)C1CCc2c(C)cc(O)c(C(=O)O)c2C1- InChIKey
GOBPGMOBZHNSGZ-UHFFFAOYSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.12559443
Overview
inhibits ribonuclease H activity of HIV-1 reverse transcriptase; structure in first source
Names & identifiers
- Preferred name
- Manicol
- IUPAC
- 2-hydroxy-4-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
Names & synonyms
76235-60-4RefChem:155658ManicolNSC 310618BRN 50483086H-Benzocyclohepten-6-one, 1,2,3,4-tetrahydro-5,7-dihydroxy-9-methyl-2-(1-methylethenyl)-, (R)-DTXSID50997577NCI60_0026766-hydroxy-3-isopropenyl-8-methyl-tetralin-5-carboxylic acid1-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-2-hydroxy-4-methyl-7-(1-methylethenyl)-2-Hydroxy-4-methyl-7-(prop-1-en-2-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
Database identifiers
- CAS
76235-60-4- PubChem CID
- 122809
- DTXSID
DTXSID50997577
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
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Related reactions
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Compound notes
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