E6201
(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
Molecular Identity
E6201
(4S,5R,6Z,9S,10S,12E)-16-(ethylamino)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
PubChem CID: 10172827
2D Structure
Properties
C21H27NO6
Molecular Formula
389.40
Molecular Weight
g/mol
389.1838
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
604
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
E6201E-6201603987-35-5CZP9GB25HOE 6201ER-8062011H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 14-(ethylamino)-3,4,9,10-tetrahydro-8,9,16-trihydroxy-3,4-dimethyl-, (3S,4R,5Z,8S,9S,11E)-(4S,5R,6Z,9S,10S,12E)-16-ethylamino-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo(12.4.0)octadeca-1(14),6,12,15,17-pentaene-2,8-dione(4S,5R,6Z,9S,10S,12E)-16-ethylamino-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dioneRefChem:136143E6201 cpdMEK-1/MEKK-1 INHIBITOR E6201(3S,4R,8S,9S)-14-(ethylamino)-8,9,16-trihydroxy-3,4-dimethyl-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7-dioneUNII-CZP9GB25HO(3S,4R,5Z,8S,9S,11E)-14-(Ethylamino)-8, 9,16-trihydroxy-3,4-dimethyl-3,4,9,19-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Data from PubChem (NCBI)
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