Summary
IMPPAT Phytochemical identifier: IMPHY004714
Phytochemical name: Myriconol
Synonymous chemical names:myriconol
External chemical identifiers:CID:44257402
Chemical structure information
SMILES:
C=CC/C=C/c1cc2c(cc1O)OC1C(C2=O)c2cc(OC)c(cc2OC1)OCInChI:
InChI=1S/C23H22O6/c1-4-5-6-7-13-8-15-18(10-16(13)24)29-21-12-28-17-11-20(27-3)19(26-2)9-14(17)22(21)23(15)25/h4,6-11,21-22,24H,1,5,12H2,2-3H3/b7-6+InChIKey:
IWBCQVBHUFYGAK-VOTSOKGWSA-NDeepSMILES:
C=CC/C=C/cccccc6O)))OCCC6=O))cccOC))ccc6OC%10))))OCFunctional groups:
C=CC, c/C=C/C, cC(C)=O, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1c2ccccc2OC2COc3ccccc3C12Scaffold Graph/Node level:
OC1C2CCCCC2OC2COC3CCCCC3C21Scaffold Graph level:
CC1C2CCCCC2CC2CCC3CCCCC3C21
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Isoflavonoids
ClassyFire Subclass: Rotenoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Isoflavonoids
NP Classifier Class: Rotenoids
NP-Likeness score: 1.895
Chemical structure download
