ID: 85912
SMILES:C1(O)C(OC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C)OC(CO)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.598
CB1 binding score: -12.06
InChIKey:PCWCERXSCFZWCY-UHFFFAOYSA-N
ID: 85913
SMILES:CC12OC(=O)CC1c1c(c(OC(=O)C)cc(CCCCC)c1)CC(C)C2OC(C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.514
CB1 binding score: -15.379
InChIKey:RSEXQWVWRFVLHG-UHFFFAOYSA-N
ID: 85914
SMILES:C1CC(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 85915
SMILES:c1(CCCCC)cc2c(c(O)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.779
InChIKey:ZSDJPGLYWNHCIW-UHFFFAOYSA-N
ID: 85916
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(CC=C(C)C1)C(=O)C2(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.351
InChIKey:XQGFISJJZVJYCI-UHFFFAOYSA-N
ID: 85917
SMILES:CC1C2C(C)(Oc3c1c(O)cc(CCC)c3)C1CC(C)(C)CC1C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.99
InChIKey:QMNQJPHHSYDMDK-UHFFFAOYSA-N
ID: 85918
SMILES:COc1c(O)c2c(cc1CCCCC)OC(C)(C)c1c-2cc(C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -15.023
InChIKey:DKYGZXPPMNCFFN-UHFFFAOYSA-N
ID: 85919
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.66
InChIKey:KZEFBQGDXCTVNX-UHFFFAOYSA-N
ID: 85920
SMILES:C(CCC(C)=CCc1c(O)c(C(=O)CCc2ccccc2I)c2c(c1O)OC(C)(C)C1C2C=C(C)CC1)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 654.629
CB1 binding score: -15.081
InChIKey:NYXRGNIPQXWDQS-UHFFFAOYSA-N
ID: 85921
SMILES:c1(C)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -18.804
InChIKey:NJEVKSYKELTXNY-UHFFFAOYSA-N
ID: 85922
SMILES:C(CCCC(=O)c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -15.956
InChIKey:WJKZTORZQVZSCG-UHFFFAOYSA-N
ID: 85923
SMILES:C12OC(C(C(C)=C)CCC1(O)C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.43
InChIKey:FESULXRKEVSSCG-UHFFFAOYSA-N
ID: 85924
SMILES:c12c(c(=O)cc(O)c(CC=C(C)CCC=C(C)C)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -15.882
InChIKey:JMBCFBAEGXOBHZ-UHFFFAOYSA-N
ID: 85925
SMILES:C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -20.03
InChIKey:LXMICYYYVWWGAM-UHFFFAOYSA-N
ID: 85926
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(CCC=C(C)C)(C)C(O)C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.123
InChIKey:XTHJHHRKYPIOTH-UHFFFAOYSA-N
ID: 85927
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(C1=O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.385
InChIKey:OEVTYBFIRUAXCM-UHFFFAOYSA-N
ID: 85928
SMILES:C1(c2ccc(C)cc2O)(C)C2CC(C(C)C)C=CC2(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -13.509
InChIKey:FQDHSKQCSUPCDZ-UHFFFAOYSA-N
ID: 85929
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.791
InChIKey:ORKZJYDOERTGKY-UHFFFAOYSA-N
ID: 85930
SMILES:C1C2C(C)(C)Oc3cc(C)cc(O)c3C2C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -17.115
InChIKey:SWWJISQYLZHBTO-UHFFFAOYSA-N
ID: 85931
SMILES:c12cc(CCCCC)cc(OCC3(C)C(CC=C(CCC=C(C)C)C)O3)c1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -15.929
InChIKey:HQYQWJIJWQGCBP-UHFFFAOYSA-N
ID: 85932
SMILES:CC(C)(O)C(O)CCC(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.445
CB1 binding score: -17.726
InChIKey:VFRPPEAWJCUJJG-UHFFFAOYSA-N