Molecule

(1S,4S,7S,9R)-9-hydroxy-4-[(4-hydroxyphenyl)methyl]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

Chemical Information

Molecular Image

InChI	InChI=1S/C20H19N3O4/c24-12-7-5-11(6-8-12)9-15-18(26)23-16(17(25)21-15)10-20(27)13-3-1-2-4-14(13)22-19(20)23/h1-8,15-16,19,22,24,27H,9-10H2,(H,21,25)/t15-,16-,19-,20+/m0/s1
SMILES	O=C1N[C@@H](CC2=CC=C(O)C=C2)C(=O)N2[C@H]1C[C@@]1(O)C3=CC=CC=C3N[C@@H]21
InChI Key	VSZDKEGHNKLVGT-CPLUKWAASA-N

6 Related Dataset(s) ⌄

(3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b 13C.jdf]

(3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b 1H.jdf]

(3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b COSY.jdf]

(3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b HMBC.jdf]

(3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b HSQC.jdf]

(3S,5aS,10bR,11aS)-10b-hydroxy-3-(4-hydroxybenzyl)-2,3,6,10b,11,11a-hexahydro-4H-pyrazino[1',2'1,5]pyrrolo[2,3-b]indole-1,4(5aH)-dione[3b NOESY.jdf]

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol6278
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEMBL5410951	chembl
172454633	pubchem
The data in this table is sourced from UniChem at EBI.