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MMP-AC0047 : Friedelin
COMPOUND INFO
IN-VITRO ACTIVITY (4)
TARGET PROTEIN (0)
2D - STRUCTURE
3D - STRUCTURE
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Compound Name :
Friedelin
Compound Class :
Terpenoids
Synonyms :
Friedelin; Friedeline; 559-74-0; D:A-Friedooleanan-3-one; Friedelan-3-one;
Compound Extracted from :
Friedelin
is extracted / reported from
19
Plant(s) of Melghat Flora as below
MC002: Ventilago denticulata Willd.
;
MC023: Argyreia nervosa (Burm. f.) Bojer
;
MH021: Melochia corchorifolia L.
;
MH146: Canscora decurrens Dalz.
;
MH150: Hoppea dichotoma Hayne ex Willd.
;
MH164: Ipomoea pes-tigridis L.
;
MH186: Scoparia dulcis L.
;
MH251: Peperomia pellucida (L.) Kunth
;
MH257: Euphorbia geniculata Ortega
;
MS100: Ichnocarpus ovatifolius A. DC.
;
MS124: Phyllanthus reticulatus Poir.
;
MT026: Mangifera indica L.
;
MT043: Albizia lebbeck (L.) Benth.
;
MT047: Terminalia alata Heyne ex Roth
;
MT051: Syzygium cumini (L.) Skeels
;
MT080: Mallotus philippensis (Lam.) Müll. Arg.
;
MT084: Ficus arnottiana (Miq.) Miq.
;
MT085: Ficus benghalensis L.
;
MT129: Putranjiva roxburghii Wall.
;
Molecular Formula :
C30H50O
Molecular Weight :
426.7
InChi Key :
OFMXGFHWLZPCFL-SVRPQWSVSA-N
IUPAC :
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
InChi :
InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
Hydrogen Bond Donor count :
0
Hydrogen Bond Acceptor count :
1
Rotational Bond count :
0
TPSA :
17.1
LogP Value :
9.8
Lipinski Rule of Five :
No
Ghose Filter :
No
Veber Filter :
Yes
Muegge Filter :
No
PubChem CID :
91472
Drugbank ID :
-
Super Natural :
000559740
CTD :
C060796
HIT :
-
NCI-60 GI50 data :
-
Reference(s) :
https://www.ncbi.nlm.nih.gov/pubmed/27874020
Compound_ID
Cell Lines
Cancer Type
IC50 Value
EC50 Value
ED50 Value
GI50 Value
References
MMP-AC0047
MDA-MB-231
Breast
39.6 µg/ml
-
-
-
16883274
MMP-AC0047
HeLa
Cervix
35.0 µg/ml
-
-
-
16883274
MMP-AC0047
CEM-SS
Haematopoietic and Lymphoid tissue
>40.0 µg/ml
-
-
-
16883274
MMP-AC0047
CaOV3
Ovary
>40.0 µg/ml
-
-
-
16883274
Compound_ID
Target
Gene_Name
Gene_ID
Cancer
Cell_lines
IC50 Value
EC50 Value
ED50 Value
GI50 Value
Remarks
References
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