ingenol mebutate (Q426386)

Ingenol mebutate (English)

18 November 2016

chemical formula

C₂₅H₃₄O₆

1 reference

Ingenol mebutate (English)

18 November 2016

canonical SMILES

CC=C(C)C(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)CO)O)O)C

1 reference

Ingenol mebutate (English)

18 November 2016

isomeric SMILES

C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C

1 reference

Diterpenoids from Euphorbia peplus.

Ingenol mebutate (English)

18 November 2016

1 reference

14 February 2018

1 reference

Xylaria cubensis

1 reference

Wheldone: Characterization of a Unique Scaffold from the Coculture of Aspergillus fischeri and Xylaria flabelliformis

Aspergillus fischeri

1 reference

Wheldone: Characterization of a Unique Scaffold from the Coculture of Aspergillus fischeri and Xylaria flabelliformis

Neosartorya fischeri

1 reference

Wheldone: Characterization of a Unique Scaffold from the Coculture of Aspergillus fischeri and Xylaria flabelliformis

medical condition treated

actinic keratosis

1 reference

Drug Indications Extracted from FAERS

2 October 2018

skin cancer

1 reference

Drug Indications Extracted from FAERS

2 October 2018

skin disease

1 reference

Drug Indications Extracted from FAERS

2 October 2018

23 January 2012

Food and Drug Administration

1 reference

Inxight: Drugs Database

https://drugs.ncats.io/drug/7686S50JAH

2 November 2018

reference URL

http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/202833s007lbl.pdf

physically interacts with

Protein kinase C alpha

1 reference

17 August 2016

protein kinase C beta

1 reference

17 August 2016

Protein kinase C delta

1 reference

17 August 2016

Protein kinase C epsilon

1 reference

17 August 2016

Protein kinase C gamma

1 reference

imported from Wikimedia project

17 August 2016

pregnancy category

US pregnancy category C

1 reference

English Wikipedia

Identifiers

InChI

InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1

1 reference

Ingenol mebutate (English)

18 November 2016

VDJHFHXMUKFKET-WDUFCVPESA-N

1 reference

Ingenol mebutate (English)

VDJHFHXMUKFKET-UXMMOKKRSA-N

18 November 2016

1 reference

ChEBI release 2020-09-01

CAS Registry Number

75567-37-2

2 references

Global Substance Registration System

UNII

7686S50JAH

ingenol mebutate (English)

18 November 2016

VDJHFHXMUKFKET-UXMMOKKRSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=75567-37-2

1 reference

(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-Dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-4-yl (2Z)-2-methyl-2-butenoate (English)

18 November 2016

2 references

Ingenol mebutate (English)

matched by identifier from

18 November 2016

VDJHFHXMUKFKET-WDUFCVPESA-N

46174141

1 reference

matched by identifier from

VDJHFHXMUKFKET-UXMMOKKRSA-N

ChEBI ID

66913

mapping relation type

2 references

Ingenol Mebutate (English)

19 January 2016

ChEBI release 2021-03-01

1 reference

Hazardous Substances Data Bank

INGENOL MEBUTATE (English)

18 November 2016

1 reference

1 reference

28 October 2019

Ingenol mebutate (English)

matched by identifier from

10 May 2021

DSSTox substance ID

DTXSID301025610

1 reference

VDJHFHXMUKFKET-WDUFCVPESA-N

EC number

688-125-2

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.214.695

27 December 2018

ECHA Substance Infocard ID

2-Butenoic acid, 2-methyl-, (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester, (2Z)- (English)

quotation

CAS no.: 75567-37-2 (English)

100.214.695

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.214.695

27 December 2018

2-Butenoic acid, 2-methyl-, (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester, (2Z)- (English)

quotation

CAS no.: 75567-37-2 (English)

1 reference