(Q104988715)

English

cephaeline

group of stereoisomers with the chemical formula C₂₈H₃₈N₂O₄

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Statements

instance of

group of stereoisomers

0 references

subclass of

isoquinoline alkaloid

1 reference

inferred from

isoquinoline alkaloid

mass

466.283157696 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₈N₂O₄

0 references

canonical SMILES

OC=1C=C2C(=CC1OC)C(NCC2)CC3CC4C5=CC(OC)=C(OC)C=C5CCN4CC3CC

0 references

found in taxon

Carapichea ipecacuanha

5 references

stated in

Chemical Constituents of Psychotria nemorosa Gardner and Antinociceptive Activity

stated in

Three new O-methyltransferases are sufficient for all O-methylation reactions of ipecac alkaloid biosynthesis in root culture of Psychotria ipecacuanha

stated in

Antiparasitic alkaloids from Psychotria klugii.

stated in

Is a metabolic enzyme complex involved in the efficient and accurate control of Ipecac alkaloid biosynthesis in Psychotria ipecacuanha?

stated in

Molecular cloning of an O-methyltransferase from adventitious roots of Carapichea ipecacuanha

Alangium longiflorum

1 reference

stated in

Two Alangium alkaloids from Alangium lamarckii

Identifiers

InChI

InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3

0 references

InChIKey

DTGZHCFJNDAHEN-UHFFFAOYSA-N

0 references

CAS Registry Number

10159-64-5

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DTGZHCFJNDAHEN-UHFFFAOYSA-N

ChEBI ID

181712

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3

1 reference

MassBank accession ID

MSBNK-RIKEN-PR310641

1 reference

InChIKey

DTGZHCFJNDAHEN-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

1 reference

matched by identifier from

InChIKey

DTGZHCFJNDAHEN-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0249806

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DTGZHCFJNDAHEN-UHFFFAOYSA-N

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