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Ingenol

Ingenol structure

CAS No:
30220-46-3
Formula:
C20H28O5
Chemical Name:
Ingenol
Synonyms:
1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one,1a,2,5,5a,6,9,10,10a-octahydro-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-,(1aR,2S,5R,5aR,6S,8aS,9R,10aR)-;1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one,1a,2,5,5a,6,9,10,10a-octahydro-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-,[1aR-(1aα,2β,5β,5aβ,6β,8aα,9α,10aα)]-;(1aR,2S,5R,5aR,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-Octahydro-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one;Ingenol;(-)-Ingenol;34711-58-5
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Description

Ingenol is a PKC activator, with a Ki of 30 μM, with antitumor activity.

Ingenol Basic Attributes

Molecular Weight：

348.439

Exact Mass：

348.43

Characteristics

PSA：

XLogP3：

0.2

Density：

1.3±0.1 g/cm3

Boiling Point：

523.785°C at 760 mmHg

Flash Point：

284.7±26.6 °C

Refractive Index：

1.625

Safety Information

Packing level：

Ⅲ

Transport codes：

1759

wgk germany：

hazard class code：

safety instructions：

26-36

Marks：

Xi: Irritant;

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P362

Hazard Statements：

H315

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, and P362|Aggregated GHS information provided by 40 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

ingenol

Computed Properties

Molecular Weight:348.4
XLogP3:0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:348.19367399
Monoisotopic Mass:348.19367399
Topological Polar Surface Area:98
Heavy Atom Count:25
Complexity:707
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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