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Ailanthone

Ailanthone structure

CAS No:
981-15-7
Formula:
C20H24O7
Chemical Name:
Ailanthone
Synonyms:
Picrasa-3,13(21)-diene-2,16-dione,11,20-epoxy-1,11,12-trihydroxy-,(1β,11β,12α)-;2H-1,11c-(Epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6aH)-dione,1,3a,4,7,7a,11,11a,11b-octahydro-1α,2β,11β-trihydroxy-8,11aβ-dimethyl-3-methylene-;Ailanthone;(1β,11β,12α)-11,20-Epoxy-1,11,12-trihydroxypicrasa-3,13(21)-diene-2,16-dione;Δ13-Dehydrochaparrinone;13,21-Didehydrochaparrinone;875827-88-6;162517-11-5
Categories:
Natural Products > Terpenes

Description

Ailanthone (Δ13-Dehydrochaparrinone) is a potent inhibitor of both full-length androgen receptor (AR) (IC50=69 nM) and constitutively active truncated AR splice variants (AR1-651 IC50=309 nM).

Ailanthone is a triterpenoid.

Ailanthone Basic Attributes

Molecular Weight：

376.403

Exact Mass：

376.40

Characteristics

PSA：

113.29000

XLogP3：

-0.76

Density：

1.5±0.1 g/cm3

Melting Point：

235-237 °C

Boiling Point：

641.0±55.0 °C at 760 mmHg

Flash Point：

231.6±25.0 °C

Refractive Index：

1.640

Safety Information

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 157 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

ailanthone

Computed Properties

Molecular Weight:376.4
XLogP3:-1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Exact Mass:376.15220310
Monoisotopic Mass:376.15220310
Topological Polar Surface Area:113
Heavy Atom Count:27
Complexity:817
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ailanthone

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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