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MMP-AC0074 : Caryophyllene
COMPOUND INFO
IN-VITRO ACTIVITY (3)
TARGET PROTEIN (0)
2D - STRUCTURE
3D - STRUCTURE
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Compound Name :
Caryophyllene
Compound Class :
Terpenoids
Synonyms :
BETA-CARYOPHYLLENE; Caryophyllene; (-)-trans-Caryophyllene; (-)-beta-caryophyllene; 87-44-5;
Compound Extracted from :
Caryophyllene
is extracted / reported from
27
Plant(s) of Melghat Flora as below
MG018: Cymbopogon martinii (Roxb.) J.F. Watson
;
MH061: Psoralea corylifolia L.
;
MH091: Pimpinella monoica Dalzell
;
MH094: Borreria stricta G. Mey.
;
MH099: Ageratum conyzoides L.
;
MH106: Blumea mollis (D.Don) Merr.
;
MH188: Stemodia viscosa Roxb.
;
MH220: Lavandula bipinnata (Roth) Kuntze
;
MH232: Plectranthus rugosus Wall. ex Benth.
;
MH262: Euphorbia thymifolia L.
;
MH271: Blumea bifoliata (L.) DC.
;
MH331: Cyperus iria L.
;
MH366: Senecio nudicaulis Buch.-Ham. ex D.Don
;
MH392: Zingiber nimmonii (J.Graham) Dalzell
;
MH418: Cyclospermum leptophyllum (Pers.) Sprague
;
MS025: Murraya koenigii (L.) Spreng.
;
MS048: Caesalpinia decapetala (Roth) Alston
;
MS080: Peristrophe bicalyculata (Retz.) Nees
;
MS083: Lantana camara L.
;
MS085: Vitex negundo L.
;
MS089: Pogostemon benghalensis (Burm.f.) Kuntze
;
MS099: Cassia hirsuta L.
;
MT017: Chloroxylon swietenia (Roxb.) DC.
;
MT051: Syzygium cumini (L.) Skeels
;
MT086: Ficus cunia Buch.-Ham. ex Roxb.
;
MT095: Magnolia champaca (L.) Baill. ex Pierre.
;
MT097: Polyalthia longifolia (Sonn.) Thwaites
;
Molecular Formula :
C15H24
Molecular Weight :
204.35
InChi Key :
NPNUFJAVOOONJE-GFUGXAQUSA-N
IUPAC :
(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
InChi :
InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1
Hydrogen Bond Donor count :
0
Hydrogen Bond Acceptor count :
0
Rotational Bond count :
0
TPSA :
0
LogP Value :
4.4
Lipinski Rule of Five :
Yes
Ghose Filter :
Yes
Veber Filter :
Yes
Muegge Filter :
Yes
PubChem CID :
5281515
Drugbank ID :
-
Super Natural :
-
CTD :
C024714
HIT :
C0040
NCI-60 GI50 data :
-
Reference(s) :
https://www.ncbi.nlm.nih.gov/pubmed/29154797
Compound_ID
Cell Lines
Cancer Type
IC50 Value
EC50 Value
ED50 Value
GI50 Value
References
MMP-AC0074
MCF-7
Breast
17.1±0.8M
-
-
-
19656204
MMP-AC0074
HL-60
Haematopoietic and Lymphoid tissue
19.31 µg/ml
-
-
-
20359874
MMP-AC0074
B16
Skin
190 µMol/L
-
-
-
11741740
Compound_ID
Target
Gene_Name
Gene_ID
Cancer
Cell_lines
IC50 Value
EC50 Value
ED50 Value
GI50 Value
Remarks
References
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