Basic information
- CAS
142632-33-5- Standard SMILES
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@H]3O- InChIKey
NIDRYBLTWYFCFV-SEDUGSJDSA-N- Molecular formula
- C22H26O5
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.17802393
Overview
calanolide B has been reported in Calophyllum lanigerum with data available.
Names & identifiers
- Preferred name
- (10R,11S,12R)-11,12-Dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-2H,6H,10H-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one
- IUPAC
- (16R,17S,18R)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-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
- calanolide B
- Molecular formula
- C22H26O5
- Molecular weight
- 370.442
Names & synonyms
Calanolide B142632-33-5DTXSID80162110(16R,17S,18R)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one2H,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-propyl-, (10R-(10alpha,11beta,12beta))-(16R,17S,18R)-18-hydroxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo(12.4.0.02,7.08,13)octadeca-1(14),2(7),5,8(13),11-pentaen-4-oneRefChem:905619DTXCID9084601(10R,11S,12R)-11,12-Dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-2H,6H,10H-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one(+)-Calanolide BNSC6754502',3'-h]chromene-2-one
Show more names
CCRIS 9389NSC 675450CHEMBL7121SCHEMBL212038orb1738780(+)-Calanolide B (synthetic)BDBM50428437NSC-675450
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 666
Chemistry & industry
Applications
DescriptionCalanolide B is one of a novel class of HIV-inhibiting coumarins from the tropical rainforest tree, Calophyllum lanigerum.
Upstream & downstream products
Upstream raw materials
Suppliers3 total
苏州美石生物科技有限公司1173954148q · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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