Chemical Components in the PDB

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HN8 : Summary

Code

HN8

One-letter code

X

Molecule name

Haemanthamine

Synonyms

Haemanthamin
Natalensin
3-Epicrinamine

Systematic names

Not Assigned

Formula

C17 H19 N O4

Formal charge

0

Molecular weight

301.337 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CO[CH]1C[CH]2[N]3C[CH](O)[C]2(C=C1)c4cc5OCOc5cc4C3
SMILES OpenEye OEToolkits 2.0.6 COC1CC2C3(C=C1)c4cc5c(cc4CN2CC3O)OCO5
Canonical SMILES CACTVS 3.385 CO[C@H]1C[C@@H]2[N@@]3C[C@H](O)[C@@]2(C=C1)c4cc5OCOc5cc4C3
Canonical SMILES OpenEye OEToolkits 2.0.6 CO[C@H]1C[C@H]2[C@]3(C=C1)c4cc5c(cc4CN2C[C@@H]3O)OCO5

IUPAC InChI

InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16+,17+/m1/s1

IUPAC InChI key

YGPRSGKVLATIHT-HSHDSVGOSA-N
HN8

wwPDB Information

Atom count

41 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-08-03

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned