Summary
IMPPAT Phytochemical identifier: IMPHY007513
Phytochemical name: beta-Lapachone
Synonymous chemical names:beta-lapachone, lapachone, beta-, β-lapachone
External chemical identifiers:CID:3885, ChEMBL:CHEMBL15192, ChEBI:10429, ZINC:ZINC000001531790, FDASRS:6N4FA2QQ6A, SureChEMBL:SCHEMBL107042, MolPort-003-946-081
Chemical structure information
SMILES:
O=C1C2=C(OC(CC2)(C)C)c2c(C1=O)cccc2InChI:
InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3InChIKey:
QZPQTZZNNJUOLS-UHFFFAOYSA-NDeepSMILES:
O=CC=COCCC6))C)C)))ccC6=O))cccc6Functional groups:
COC1=C(C)C(=O)C(=O)cc1
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1C(=O)c2ccccc2C2=C1CCCO2Scaffold Graph/Node level:
OC1C(O)C2CCCOC2C2CCCCC12Scaffold Graph level:
CC1C(C)C2CCCCC2C2CCCCC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Naphthopyrans
ClassyFire Subclass: Naphthopyranones
NP Classifier Biosynthetic pathway: Polyketides
NP Classifier Superclass: Naphthalenes
NP Classifier Class: Naphthoquinones
NP-Likeness score: 1.516
Covalent inhibitor information
Chemical structure download
