1-[4-hydroxy-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-1-yl]propane-1,2-diol
Basic information
- CAS
137767-81-8- Standard SMILES
COc1c(C)c(C(O)C(C)O)c2[nH]c3ccc(CC=C(C)C)cc3c2c1O- InChIKey
SALJSBDYICZFIP-UHFFFAOYSA-N- Molecular formula
- C22H27NO4
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.19400834
Names & identifiers
- Preferred name
- 1-[4-hydroxy-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-1-yl]propane-1,2-diol
- IUPAC
- 1-[4-hydroxy-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-1-yl]propane-1,2-diol
- English name
- neocarazostatin A
- Molecular formula
- C22H27NO4
- Molecular weight
- 0
Names & synonyms
1-[4-hydroxy-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-1-yl]propane-1,2-diolSCHEMBL29774227SCHEMBL29774228DTXSID909298921-[4-hydroxy-3-methoxy-2-methyl-6-(3-methylbut-2-en-1-yl)-9H-carbazol-1-yl]propane-1,2-diol1,2-Propanediol, 1-(4-hydroxy-3-methoxy-2-methyl-6-(3-methyl-2-butenyl)-9H-carbazol-1-yl)-neocarazostatin A3-Methoxy-2-methyl-1-(1,2-dihydroxypropyl)-6-(3-methyl-2-butenyl)-9H-carbazol-4-ol
Database identifiers
- CAS
137767-81-8- PubChem CID
- 126263
- DTXSID
DTXSID90929892- Nikkaji
- J431.128K
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 534
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Related reactions
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Compound notes
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