Basic information
- CAS
182052-05-7- Standard SMILES
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(c(=O)c2c1O)C(C=C(C)C)Oc1cc(O)ccc1-3- InChIKey
TVPZDSSZKMMCLB-UHFFFAOYSA-N- Molecular formula
- C30H32O6
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.21988874
Overview
Artelastin has been reported in Artocarpus lanceifolius and Artocarpus elasticus with data available.
Names & identifiers
- Preferred name
- Artelastin
- IUPAC
- 3,8,10-trihydroxy-9,11-bis(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
Names & synonyms
Artelastin182052-05-7DTXSID703279933,8,10-trihydroxy-9,11-bis(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6h-chromeno[4,3-b]chromen-7-one3,8,10-trihydroxy-9,11-bis(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno(4,3-b)chromen-7-oneRefChem:114240DTXCID10279104CHEMBL1969582SCHEMBL15676124LMPK12111538NSC710340NSC-710340
Show more names
NCI60_0388253,8,10-Trihydroxy-9,11-bis(3-methylbut-2-en-1-yl)-6-(2-methylprop-1-en-1-yl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one6H,3-b][1]benzopyran-7-one,3,8,10-tri hydroxy-9,11-bis(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-
Database identifiers
- CAS
182052-05-7- PubChem CID
- 399488
- DTXSID
DTXSID70327993- ChEMBL
CHEMBL1969582- Nikkaji
- J778.686G
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 962
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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