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MMP-AC0055 : Alpha-amyrin
COMPOUND INFO
IN-VITRO ACTIVITY (2)
TARGET PROTEIN (0)
2D - STRUCTURE
3D - STRUCTURE
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Compound Name :
Alpha-amyrin
Compound Class :
Terpenoids
Synonyms :
alpha-Amyrin; Viminalol; 638-95-9; alpha-Amyrenol; alpha-Amyrine;
Compound Extracted from :
Alpha-amyrin
is extracted / reported from
23
Plant(s) of Melghat Flora as below
MC022: Pergularia daemia (Forssk.) Chiov.
;
MC060: Cissus quadrangularis
;
MH104: Blumea laciniata (Wall. ex Roxb.) DC.
;
MH134: Spilanthes calva DC.
;
MH159: Convolvulus arvensis L
;
MH186: Scoparia dulcis L.
;
MH272: Blumea lacera (Burm.f.) DC.
;
MS003: Capparis zeylanica L.
;
MS020: Grewia hirsuta Vahl
;
MS066: Holostemma annulare (Roxb.) K. Schumann
;
MS067: Leptadenia reticulata (Retz.) Wight
;
MS068: Hemidesmus indicus (L.) R. Br.
;
MS084: Nyctanthes arbor-tristis L.
;
MS100: Ichnocarpus ovatifolius A. DC.
;
MS116: Capparis sepiaria L.
;
MT058: Gardenia turgida Roxb.
;
MT062: Madhuca indica J.F. Gmel.
;
MT063: Diospyros melanoxylon Roxb.
;
MT066: Wrightia tinctoria Roem.
;
MT068: Cordia dichotoma Forster. f., Prodr.
;
MT088: Ficus racemosa L.
;
MT113: Ficus lacor Buch-Ham
;
MT120: Mesua ferrea L.
;
Molecular Formula :
C30H50O
Molecular Weight :
426.7
InChi Key :
FSLPMRQHCOLESF-SFMCKYFRSA-N
IUPAC :
(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
InChi :
InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
Hydrogen Bond Donor count :
1
Hydrogen Bond Acceptor count :
1
Rotational Bond count :
0
TPSA :
20.2
LogP Value :
9
Lipinski Rule of Five :
No
Ghose Filter :
No
Veber Filter :
Yes
Muegge Filter :
No
PubChem CID :
73170
Drugbank ID :
-
Super Natural :
000638959
CTD :
C036380
HIT :
C0066
NCI-60 GI50 data :
-
Reference(s) :
https://www.ncbi.nlm.nih.gov/pubmed/22577623
Compound_ID
Cell Lines
Cancer Type
IC50 Value
EC50 Value
ED50 Value
GI50 Value
References
MMP-AC0055
MCF-7
Breast
3.05±0.05
-
-
-
21846263
MMP-AC0055
HCT-116
Colon
2.9±0.2
-
-
-
21846263
Compound_ID
Target
Gene_Name
Gene_ID
Cancer
Cell_lines
IC50 Value
EC50 Value
ED50 Value
GI50 Value
Remarks
References
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