Basic information
- CAS
65025-62-9- Standard SMILES
C[C@H]1[C@H](C)Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@H]1O)OC(C)(C)C=C3- InChIKey
BXENDTPSKAICGV-RXSFTSLZSA-N- Molecular formula
- C25H24O5
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.16237386
Names & identifiers
- Preferred name
- (-)-Inophyllum P
- IUPAC
- (16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
- English name
- soulattrolide
- Molecular formula
- C25H24O5
- Molecular weight
- 404.46
Names & synonyms
Soulattrolide65025-62-9CHEBI:66516DTXSID60215355(10alpha,11beta,12beta)-(-)-11,12-Dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-2H,6H,10H-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one(16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one(16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo(12.4.0.02,7.08,13)octadeca-1(14),2(7),5,8(13),11-pentaen-4-one(-)-Inophyllum PRefChem:905559DTXCID60137846CHEMBL46677311,12-Dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-2,6,10-benzotripyran-2-one
Show more names
2H,6H,10H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-, (10S,11R,12S)- (9CI)
hydroxy-tetramethyl-phenyl-[?]one(10s,11r,12s)-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-dihydro-2h,6h,10h-dipyrano[2,3-f:2',3'-h]chromen-2-oneorb2814950BXENDTPSKAICGV-RXSFTSLZSA-NBDBM50292362T202761Q27135123(10S,11R,12S)-12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-dihydro-2H,6H,10H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 749
Physicochemical properties
- Melting point
- 177 · 177-181 °C
- Boiling point
- 564.7 · 564.7±50.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.70(Predicted)
- LogP
- 5.58 · 5.580 (est)
Chemistry & industry
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of coumarins that is 11,12-dihydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-one substituted by a phenyl group at position 4, methyl groups at positio s 6, 6, 10 and 11 and a hydroxy group at position 12 (the 10S,11R,12S stereoisomer). Isolated from Calophyllum brasiliense and Calophyllum soulattri, it exhibits anti-HIV activit .
Related reactions
4 records
Compound notes
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