ID: 43702
SMILES:C1(=O)OC2(c3c(cc(CCCCC)cc3O)OC2(C)C)CC1C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -16.62
InChIKey:GDUMOVAXMZSATL-UHFFFAOYSA-N
ID: 43703
SMILES:CC1CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)CCC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -14.555
InChIKey:DAVMEPYQLXUHFQ-UHFFFAOYSA-N
ID: 43704
SMILES:COc1c2c(cc(CCCC(=C)O)c1)OC(C)(C)C1CCC(C(=O)O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -11.572
InChIKey:DFCUNQZMRWELOV-UHFFFAOYSA-N
ID: 43705
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C=C(C(=O)O)CCC1C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.531
InChIKey:MNPOCGUOPCCMCZ-UHFFFAOYSA-N
ID: 43706
SMILES:C12(C)CC3c4c(O)cc(CCCCC)cc4OC3(C)C(CC1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.029
InChIKey:PNCFXCLSVNLBEC-UHFFFAOYSA-N
ID: 43707
SMILES:c1c(OC)c(C)cc2c1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -18.805
InChIKey:FPNAYBZLIGJJAV-UHFFFAOYSA-N
ID: 43708
SMILES:C(C)(=O)C1(C)C2CC(O)C1c1c(O)cc(CCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -16.583
InChIKey:BVGUUGAZVCWFQB-UHFFFAOYSA-N
ID: 43709
SMILES:C(C(C12CC(O1)C(C)(C)O2)=C)CC(C)=CCc1c(OC)c(C)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.156
InChIKey:CTUONTVREQTWTN-UHFFFAOYSA-N
ID: 43710
SMILES:C1C2C(C(CC(C)(O)C)O)=CCC2C(C)(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -14.78
InChIKey:QZMMAQKERMJDMB-UHFFFAOYSA-N
ID: 43711
SMILES:C(C1C(C)(C)Oc2cc(CCCCC)cc(O)c21)C=C(C)C=CC=C(C)C1=CC2=C(C3(C)CCC(O)C(C)(C)OC3CC2)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 614.867
CB1 binding score: -17.404
InChIKey:RVVSQFXZUSHTNP-UHFFFAOYSA-N
ID: 43712
SMILES:O1C(C(C)=C)C1c1c(O)c(O)c(CC=C(C)CCC=C(C)C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -12.556
InChIKey:DONVGWOTUIXCBF-UHFFFAOYSA-N
ID: 43713
SMILES:Oc1c2c(cc(CCCC)c1)OC(C)(C)C1C2C(O)C(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -17.628
InChIKey:FZPZZJPSHOYKIF-UHFFFAOYSA-N
ID: 43714
SMILES:C(CCCCCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)(O)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.705
InChIKey:NBLMPWDSLYWECK-UHFFFAOYSA-N
ID: 43715
SMILES:C1(C)=CCCC(c2c(O)cc(C(C)(CCCCCC)C)cc2O)(C)CC=CC1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -12.642
InChIKey:KACHGOGVBLUDQF-UHFFFAOYSA-N
ID: 43716
SMILES:O1c2c(cc(O)c3c2cc(CCCCC)cc3O)CC1(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -14.019
InChIKey:FRBPGGDKPRGOPC-UHFFFAOYSA-N
ID: 43717
SMILES:O(c1c2c(cc(CCCCC)c1)OC(C)(C)C1(OC(=O)CC1)CC2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -11.405
InChIKey:NOGCEFMHLAIGQP-UHFFFAOYSA-N
ID: 43718
SMILES:c1(O)c(C(=O)C(CC)C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -17.563
InChIKey:KFHWFLUEGBMEIL-UHFFFAOYSA-N
ID: 43719
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C(C)(CC1CC(=C)C(=O)O1)O)CCC2C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -17.407
InChIKey:MVFMSXHNYDGXQY-UHFFFAOYSA-N
ID: 43720
SMILES:C1(C)(C)CC(OC2C(O)C(O)C(O)C(CO)O2)CC2(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.598
CB1 binding score: -15.22
InChIKey:UCSHUNIERUKDJW-UHFFFAOYSA-N
ID: 43721
SMILES:C(CCCc1cc(O)c(O)c(C2OC(=O)C(CCC=C(CCC=C(C)C)C)(C)O2)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.585
CB1 binding score: -16.541
InChIKey:ABOZPBQFOSDMHO-UHFFFAOYSA-N
ID: 43722
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N