(Q27107946)

PILOCEREINE (English)

5 October 2016

chemical formula

C₄₅H₆₅N₃O₆

1 reference

PILOCEREINE (English)

20 November 2016

canonical SMILES

CC(C)CC1C2=CC(=C(C=C2CCN1C)OC)OC3=C4C(N(CCC4=CC(=C3OC5=C6C(N(CCC6=CC(=C5O)OC)C)CC(C)C)OC)C)CC(C)C

1 reference

PILOCEREINE (English)

InChI=1S/C45H65N3O6/c1-26(2)19-33-32-25-37(36(50-10)22-29(32)13-16-46(33)7)53-45-41-31(15-18-48(9)35(41)21-28(5)6)24-39(52-12)43(45)54-44-40-30(23-38(51-11)42(44)49)14-17-47(8)34(40)20-27(3)4/h22-28,33-35,49H,13-21H2,1-12H3

20 November 2016

Identifiers

InChI

1 reference

PILOCEREINE (English)

20 November 2016

2 references

PILOCEREINE (English)

Global Substance Registration System

20 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

2552-47-8

2 references

stated in

UNII

PV5UF6M752

pilocereine (English)

20 November 2016

https://commonchemistry.cas.org/detail?cas_rn=2552-47-8

9 April 2021

1 reference

pilocereine (English)

20 November 2016

2 references

PILOCEREINE (English)

20 November 2016

ChEBI ID

8208

mapping relation type

2 references

CHEMBL2006650 (English)

20 November 2016

International Chemical Identifier

InChI

InChI=1S/C45H65N3O6/c1-26(2)19-33-32-25-37(36(50-10)22-29(32)13-16-46(33)7)53-45-41-31(15-18-48(9)35(41)21-28(5)6)24-39(52-12)43(45)54-44-40-30(23-38(51-11)42(44)49)14-17-47(8)34(40)20-27(3)4/h22-28,33-35,49H,13-21H2,1-12H3

1 reference

CHEMBL2006650 (English)

20 November 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

0 references

1 reference

Global Substance Registration System

Pilocereine (English)

5 October 2016

2 references

UNII

PV5UF6M752

pilocereine (English)

20 November 2016

1 reference

Pilocereine (English)