ID: 46978
SMILES:C(CC(=C)C)Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 328.496
CB1 binding score: -16.648
InChIKey:NHNZHIUGWKZIED-UHFFFAOYSA-N
ID: 46979
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C=C(C(=O)O)CCC1C(C)(CO)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.45
CB1 binding score: -16.209
InChIKey:TXZYAOXILZNXFF-UHFFFAOYSA-N
ID: 46980
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.055
InChIKey:AOYYFUGUUIRBML-UHFFFAOYSA-N
ID: 46981
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)c(C(=O)O)c2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -18.365
InChIKey:WVOLTBSCXRRQFR-UHFFFAOYSA-N
ID: 46982
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 46983
SMILES:C1(=C)C=C2C(C)(CCC3C(C)(C)CC32)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.545
CB1 binding score: -12.377
InChIKey:ODQXHICNRKCMHM-UHFFFAOYSA-N
ID: 46984
SMILES:c1(C)c(OC)c(OC)c2c(c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.31
InChIKey:QQHRHILWQORFMG-UHFFFAOYSA-N
ID: 46985
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(OC(C)=O)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -18.697
InChIKey:NWHMAUOECOGBFN-UHFFFAOYSA-N
ID: 46986
SMILES:CC12C(OC3C(O)C(O)C(O)C(CO)O3)c3c(cc(CCCCC)cc3O)OC1CC(C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.609
CB1 binding score: -14.435
InChIKey:AAPCONGTUBFHLB-UHFFFAOYSA-N
ID: 46987
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -16.943
InChIKey:ZLPWOARYLIQCFD-UHFFFAOYSA-N
ID: 46988
SMILES:C(CCCCCCC)CCCc1cc(OC)c(C2C(C(C)=C)CCC(C)=C2)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.659
CB1 binding score: -15.459
InChIKey:SSBNPZIIOSWGBR-UHFFFAOYSA-N
ID: 46989
SMILES:CC1=CC(c2c(O)cc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.957
InChIKey:OANGEIYPAQYPQV-UHFFFAOYSA-N
ID: 46990
SMILES:Oc1c(CC=C(CCC=C(C)C)C)c(O)ccc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.467
InChIKey:TVERKJMGSVKUPT-UHFFFAOYSA-N
ID: 46991
SMILES:CC(CCC=C(CO)CCC=C(C)C)=CCc1c(O)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -16.502
InChIKey:BDHHJPDXARYIGJ-UHFFFAOYSA-N
ID: 46992
SMILES:C(CC)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 46993
SMILES:C(C=CC(C)C)C(C)=CCCC1(C)Oc2c(C)cc(OC)cc2C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.374
InChIKey:DYQRQYYFQIHDQN-UHFFFAOYSA-N
ID: 46994
SMILES:C(CC)=Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -16.744
InChIKey:NMGCFMHUOZKCQR-UHFFFAOYSA-N
ID: 46995
SMILES:C(=CC(=O)OC(CO)C(O)(C)C)c1c2c(cc(C(O)=O)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.524
CB1 binding score: -17.315
InChIKey:GHPSFAYLXCLNKC-UHFFFAOYSA-N
ID: 46996
SMILES:O1C(CCCC(C)(C)O)(C)C2C(C)(Oc3c(cccc3)C2)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -13.842
InChIKey:IEZYCOUVPZIFMC-UHFFFAOYSA-N
ID: 46997
SMILES:C1(O)C(C(C)=C)COc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -17.052
InChIKey:IOZLAZHQBNVTNS-UHFFFAOYSA-N
ID: 46998
SMILES:O(C)c1c2c(c(O)cc1)OC(C)(C)C1CC=C(C)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.896
InChIKey:KVMAMMXBPDHNBM-UHFFFAOYSA-N