Summary
SMILES: CC(=CC[C@@]12C(=O)C=CC(=O)[C@@]32CC(=C[C@H]1c1cc(O)ccc1O3)C)CInChI: InChI=1S/C22H22O4/c1-13(2)8-9-21-17-10-14(3)12-22(21,20(25)7-6-19(21)24)26-18-5-4-15(23)11-16(17)18/h4-8,10-11,17,23H,9,12H2,1-3H3/t17-,21-,22+/m0/s1InChIKey: HBDVLYQTRSOPRO-BULFRSBZSA-N
DeepSMILES: CC=CC[C@]C=O)C=CC=O)[C@]6CC=C[C@H]%10cccO)ccc6O%12)))))))))C)))))))))))C
Scaffold Graph/Node/Bond level: O=C1C=CC(=O)C23CC=CC(c4ccccc4O2)C13
Scaffold Graph/Node level: OC1CCC(O)C23CCCC(C4CCCCC4O2)C13
Scaffold Graph level: CC1CCC(C)C23CCCC(C4CCCCC4C2)C13
Functional groups: CC(C)=CC; CC=C(C)C; O=C1C=CC(=O)CC1; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Benzopyrans
ClassyFire Subclass: 1-benzopyrans
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Meroterpenoids
NP Classifier Class: Miscellaneous meroterpenoids
Synonymous chemical names:ehretianone
External chemical identifiers:CID:10405602; ChEMBL:CHEMBL518366; ChEBI:65821; ZINC:ZINC000005767710
Chemical structure download