Molecular Identity
Beta-Lapachone
2,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
PubChem CID: 3885
Beta-lapachone is a benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. It has a role as an antineoplastic agent, an anti-inflammatory agent and a plant metabolite. It is a member of orthoquinones and a benzochromenone.
2D Structure
Properties
C15H14O3
Molecular Formula
242.27
Molecular Weight
g/mol
242.0943
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
43.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
445
Complexity
SMILES
Canonical SMILES
SMILES: CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)CIsomeric SMILES
SMILES: CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)CSynonyms(20)
beta-Lapachone4707-32-8lapachoneLapachone, beta-3,4-Dihydro-2,2-dimethyl-2H-naphtho[1,2-B]pyran-5,6-dioneARQ 501Beta-lap-wjARQ-5013,4-Dihydro-2,2-dimethyl-2H-naphtho(1,2-b)pyran-5,6-dione6N4FA2QQ6ANSC-263262,2-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dioneBeta lapachoneNSC-6297492H-Naphtho[1,2-b]pyran-5,6-dione, 3,4-dihydro-2,2-dimethyl-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Beta-Lapachone
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