ID: 71086
SMILES:CC(CC(CCc1cc(O)c(C2C3OC3(C)C(O)CCC3(C)CC(CC(C)=CC2=O)O3)c(O)c1)(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.703
CB1 binding score: -12.253
InChIKey:ZWRHXAYEGSHIAG-UHFFFAOYSA-N
ID: 71087
SMILES:OC1c2c(cc(CCCCC)cc2O)OC2(C1(C)C)C1OC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.887
InChIKey:FHZGDPAQOAQSHT-UHFFFAOYSA-N
ID: 71088
SMILES:C(CCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)C(O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.721
InChIKey:ULZHEUZUAQGXNB-UHFFFAOYSA-N
ID: 71089
SMILES:C(CCC(=O)C(c1c(O)cc(CCC)cc1)C)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -15.98
InChIKey:XBQZAEJEIZCREM-UHFFFAOYSA-N
ID: 71090
SMILES:C(CC)CCc1cc2c(c(O)c1)C1(CCCC(=C(C)C=O)CCC1(CCCO)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.625
CB1 binding score: -15.341
InChIKey:KSESNVQSFBCEQP-UHFFFAOYSA-N
ID: 71091
SMILES:C(=C(C)C1C(C)=CC2c3c(cc(C)cc3O)OC12C)C(=O)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.381
CB1 binding score: -15.434
InChIKey:VAYRDSUMMOTREI-UHFFFAOYSA-N
ID: 71092
SMILES:c1c(CCCCC)cc2c(c1O)CC(Cl)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.811
CB1 binding score: -16.65
InChIKey:VPJXTXIUZJEYLB-UHFFFAOYSA-N
ID: 71093
SMILES:C(O)(=O)C(CCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)=Cc1ccc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.532
CB1 binding score: -15.358
InChIKey:SMUHCTUSELRTDW-UHFFFAOYSA-N
ID: 71094
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 71095
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(COC1C(O)C(O)C(O)C(CO)O1)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.609
CB1 binding score: -16.775
InChIKey:XLAKLUKOUJQOFH-UHFFFAOYSA-N
ID: 71096
SMILES:COc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 71097
SMILES:c1(O)c(C(=O)C(C)C)c(O)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17
InChIKey:WQYRNJBNQPTOAV-UHFFFAOYSA-N
ID: 71098
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 71099
SMILES:C(=C)(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 71100
SMILES:O=C(O)CCC(=O)Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -16.178
InChIKey:HURYNHLDUKCUAA-UHFFFAOYSA-N
ID: 71101
SMILES:C1(C)=CC2C(CC1)C(C)(C)Oc1cc(C=O)c(c(O)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -16.208
InChIKey:ZHQJBPBAZHAVRD-UHFFFAOYSA-N
ID: 71102
SMILES:C(C(C(=O)C)OC)Cc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.769
InChIKey:CIDLKFOSSQOFKH-UHFFFAOYSA-N
ID: 71103
SMILES:C=C1CC(CCC(=O)C)C(C)(C)CC1c1c(O)cc(CCCCC)cc1OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.676
InChIKey:WUOULTBEIMGTTG-UHFFFAOYSA-N
ID: 71104
SMILES:CC1=CCCC(=C)C1C(c1c(O)cc(CCCCC)cc1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -14.936
InChIKey:KJRFSOXDYRNTFY-UHFFFAOYSA-N
ID: 71105
SMILES:C1(=O)C(=C)C2CCC3(C)OC3C2c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -16.196
InChIKey:XIJWHDJKTDSLMW-UHFFFAOYSA-N
ID: 71106
SMILES:C1=C(C)CC2C(C(C)(C)Oc3c2cc(O)c(O)c3C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.067
InChIKey:FGKKWGIPGHBYPX-UHFFFAOYSA-N