ID: 98617
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(O)(C)C)OCC1(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.498
InChIKey:WNQGNYLJZPWBTI-UHFFFAOYSA-N
ID: 98618
SMILES:C(OC)(C(=C)C)(C(C(C)OC(=O)C)OC(=O)C)c1cc(OC)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.632
CB1 binding score: -13.882
InChIKey:PWLKFBNECJNLAJ-UHFFFAOYSA-N
ID: 98619
SMILES:c12c(cc(CCCCC)cc1O)OC(CCC=C(C)CCC=C(C)C)(C)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -16.997
InChIKey:ONUAVNICBCOGLU-UHFFFAOYSA-N
ID: 98620
SMILES:Oc1c(CC=C(C)CCC=C([CH])C)c2c(cc1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.556
CB1 binding score: -16.417
InChIKey:IQLKIDMGOKYHRI-UHFFFAOYSA-N
ID: 98621
SMILES:Oc1cc(C)cc(O)c1C1[CH]C(C)=CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 257.353
CB1 binding score: -14.553
InChIKey:NCXFQVTVKFMDGA-UHFFFAOYSA-N
ID: 98622
SMILES:c1c(CCCCC)cc2c(c1O)C1C(CC3OC13C)OC(c1c(O)cc(O)c(CC=C(CCC=C(C)C)C)c1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 548.72
CB1 binding score: -14.6
InChIKey:MBLQXOQUFLYEQJ-UHFFFAOYSA-N
ID: 98623
SMILES:O1C(c2c(O)c(CC=C(CCC=C(C)C)C)c(O)c(C(=O)CCCCC)c2O)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -15.434
InChIKey:HLAMWAGRRWBZJU-UHFFFAOYSA-N
ID: 98624
SMILES:C(CC(=O)CCCCCCC)c1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -15.487
InChIKey:ZMSRUYKNCKVKGA-UHFFFAOYSA-N
ID: 98625
SMILES:c1(O)c2c(c3c(c1)OC(C)(C)C=C3)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.806
InChIKey:IQNFJPVDVAUNJW-UHFFFAOYSA-N
ID: 98626
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 98627
SMILES:C=C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 98628
SMILES:C(C)(C)(O)C=CC1c2c(O)cc(C)cc2OC(C)(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 276.376
CB1 binding score: -14.919
InChIKey:LSXMROKQYBMJGF-UHFFFAOYSA-N
ID: 98629
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 98630
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 98631
SMILES:c1(O)c2c(c3c(c1)C(C(CCC=C(C)C)C)C(=O)OC3)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -16.031
InChIKey:POGHEWWGZMTWRB-UHFFFAOYSA-N
ID: 98632
SMILES:C(CCC1c2c(cc(CCCCC)cc2O)OC(C)(C)C1=C)=CC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.467
InChIKey:XBSSLFPYEATBJO-UHFFFAOYSA-N
ID: 98633
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(O)(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -19.691
InChIKey:ZLYNXDIDWUWASO-UHFFFAOYSA-N
ID: 98634
SMILES:O1c2c(c(O)cc(CCCC)c2)C2C1C(C(OC)=O)C(CO)=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.369
CB1 binding score: -11.961
InChIKey:DFIKVKXPCCRRIH-UHFFFAOYSA-N
ID: 98635
SMILES:C(c1c(O)c(=O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: -14.81
InChIKey:ZLSQEHQWHBMSOP-UHFFFAOYSA-N
ID: 98636
SMILES:CC1(C=C)C(C(C)=C)C(c2c(O)ccc(CCCCC)c2)C=CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -12.48
InChIKey:FAMLSQNQFCYYSW-UHFFFAOYSA-N
ID: 98637
SMILES:C(C)(=C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N