Cortistatin F

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Basic information

CAS: 941271-08-5
Standard SMILES: CC1CN(C)CCC1CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1C=C3C=C[C@@H](N(C)C)C[C@]34CC[C@@]12O4
InChIKey: VLDPMNNSRDPUBG-FCFSTLODSA-N
Molecular formula: C32H50N2O
Average molar mass: 478.8 g/mol
Monoisotopic mass: 478.39231422

Names & identifiers

Preferred name: Cortistatin F
IUPAC: (1S,2R,5R,6R,14S,16R)-5-[(2R)-4-(1,3-dimethylpiperidin-4-yl)butan-2-yl]-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12-trien-14-amine

Names & synonyms

cortistatin FCortistatine FCortistatine F, (+)-UNII-656YH2QP3G656YH2QP3G941271-08-510a,12a-Epoxybenzo(4,5)cyclohept(1,2-E)inden-9-amine, 3-((1R)-3-(1,3-dimethyl-4-piperidinyl)-1-methylpropyl)-1,2,3,3a,4,5,8,9,10,11,12,12b-dodecahydro-N,N,3a-trimethyl-,10A,12A-EPOXYBENZO(4,5)CYCLOHEPT(1,2-E)INDEN-9-AMINE, 3-((1R)-3-(1,3-DIMETHYL-4-PIPERIDINYL)-1-METHYLPROPYL)-1,2,3,3A,4,5,8,9,10,11,12,12B-DODECAHYDRO-N,N,3A-TRIMETHYL-, (3R,3AR,9S,10AR,12AS,12BR)-(1S,2R,5R,6R,14S,16R)-5-((2R)-4-((3S,4R)-1,3-dimethylpiperidin-4-yl)butan-2-yl)-N,N,6-trimethyl-19-oxapentacyclo(14.2.1.01,9.02,6.011,16)nonadeca-8,10,12-trien-14-amine(1S,2R,5R,6R,14S,16R)-5-[(2R)-4-[(3S,4R)-1,3-dimethylpiperidin-4-yl]butan-2-yl]-N,N,6-trimethyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10,12-trien-14-amineRefChem:128104DTXSID201336418

Show more names

Q27263838

Database identifiers

CAS: 941271-08-5
PubChem CID: 72710751
DTXSID: DTXSID201336418
ChEMBL: CHEMBL240976
UNII: 656YH2QP3G

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 15.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 35
Formal charge: 0
Complexity: 934

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