ID: 89734
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C3C1C(C)(CC2)CCC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -15.562
InChIKey:VIPDIMKCRCDFRO-UHFFFAOYSA-N
ID: 89735
SMILES:C1(C)=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: 89736
SMILES:C1(C)=CC2c3c(O)cc(O)c(C(CC(C)C)=O)c3OC(C)(C)C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -17.774
InChIKey:IXUVCMXGAUFCOW-UHFFFAOYSA-N
ID: 89737
SMILES:CC1(C)Oc2ccc(O)cc2C(=O)OC2C1C1C=C(C)C2CC1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.554
InChIKey:MJQZJNPNVVEXBH-UHFFFAOYSA-N
ID: 89738
SMILES:C(=C(C)C)CCC(=CCc1c(O)cc(CCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 89739
SMILES:C12Cc3c(c(CCCCC)cc(O)c3)OC(C)(C)C1CCC(O)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -15.138
InChIKey:QTTSCTIBPVHXJR-UHFFFAOYSA-N
ID: 89740
SMILES:Oc1cc(CCCCC)c(C(=O)O)c(O)c1CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 89741
SMILES:O(CC)c1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C(OC)=O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.028
InChIKey:JBLIUDINANBKHD-UHFFFAOYSA-N
ID: 89742
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1C2C=C(C(=O)OC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -17.259
InChIKey:PHKDZPWLMLWWLJ-UHFFFAOYSA-N
ID: 89743
SMILES:c1(O)c(CC=C)ccc2c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -15.79
InChIKey:SGFJUGIKTKCNJV-UHFFFAOYSA-N
ID: 89744
SMILES:CC(CO)C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.483
InChIKey:NOBVLNKOMCEFJL-UHFFFAOYSA-N
ID: 89745
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C3(C(C)CCC1C3)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.998
InChIKey:RSKIWGVBDDTHPC-UHFFFAOYSA-N
ID: 89746
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 89747
SMILES:COc1cc2c(cc1CCCCC)OC(C)(C)C1C2CC(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.68
InChIKey:VPLWHMSLMMYRKT-UHFFFAOYSA-N
ID: 89748
SMILES:C1(C)(C)Oc2c(O)cc(C3C(C(C)=C)CCC(C)=C3)c(C=O)c2OC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -12.391
InChIKey:IQBIQBMNMAPDHN-UHFFFAOYSA-N
ID: 89749
SMILES:C1(O)CC2C(C)(C)Oc3c(cc(CCCCC)cc3O)C(C2)C1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.322
InChIKey:XURJVGZRNBUKKR-UHFFFAOYSA-N
ID: 89750
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C=C(C(=O)OC)C(O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -17.334
InChIKey:MWXQWXBSBFQXFG-UHFFFAOYSA-N
ID: 89751
SMILES:OC12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(CO)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.441
InChIKey:DYWDNMOVIGSDDM-UHFFFAOYSA-N
ID: 89752
SMILES:O1C2(C(O)=C(C(=O)C(C)CC)C1=O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.412
CB1 binding score: -15.654
InChIKey:KCLDCTVZVQGQLH-UHFFFAOYSA-N
ID: 89753
SMILES:C1=C(C)CCC(C(C)(C=C(O)C=C(C)C)O)C1c1c(O)cc(C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -13.096
InChIKey:QPYWPKGEVAOSJE-UHFFFAOYSA-N
ID: 89754
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.466
InChIKey:MYHSOKDQJSQFRD-UHFFFAOYSA-N