ID: 128857
SMILES:O(c1cc(CCCCC)cc(O)c1C1C=C(C)C(=O)O1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.359
CB1 binding score: -17.686
InChIKey:RPQVROUPPUEUPU-UHFFFAOYSA-N
ID: 128858
SMILES:C1C(O)C2C(C)(C)Oc3cc(C)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -17.188
InChIKey:BWIJDRRLJZNTIG-UHFFFAOYSA-N
ID: 128859
SMILES:CC1=CC2c3c(ccc(CCCCC)c3)OC(CCC=C(CCC=C(C(O)=O)C)C)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.69
CB1 binding score: -15.288
InChIKey:ZVYXYBKLNXHZIB-UHFFFAOYSA-N
ID: 128860
SMILES:C(CC)CCc1cc(OC(C)=O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.989
InChIKey:ZTZGBEZKXBIYDU-UHFFFAOYSA-N
ID: 128861
SMILES:c1(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 128862
SMILES:C(C=C(C1Cc2c(ccc(CCCCC)c2)OC1(C)C)O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -14.211
InChIKey:DCVHLDNCMIECPD-UHFFFAOYSA-N
ID: 128863
SMILES:C1(C(C)C)CCC(O)(C)C2(O)Cc3c(cc(CCCCC)cc3O)OC12O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.509
CB1 binding score: -13.898
InChIKey:VYEQMXQCKBPVRR-UHFFFAOYSA-N
ID: 128864
SMILES:C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 128865
SMILES:C1(CCCC(=O)C)(C)C(C(C)=C)C(c2c(O)cc(CCC)cc2O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -13.771
InChIKey:BKFZPMNWRGKTHT-UHFFFAOYSA-N
ID: 128866
SMILES:CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)c(C(=O)O)c1O)CCCC(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -13.226
InChIKey:PQJMLWPZRZDSJG-UHFFFAOYSA-N
ID: 128867
SMILES:c12c(c(O)cc(CCCCC)c1)C1CC(CC=C(C)C)(O2)C2(C)CCC1(C(=O)OC)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -17.215
InChIKey:DGZGIRVXKWWPBN-UHFFFAOYSA-N
ID: 128868
SMILES:CCCCc1cc(O)c2c(c1C(=O)O)OC1(C)CCC(C(C)C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.457
InChIKey:YNYGLHRQBXHWFQ-UHFFFAOYSA-N
ID: 128869
SMILES:C1(=O)CC(C(=C)C)C(c2c(O)cc(CCC)cc2OC)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -17.456
InChIKey:AMLQUSKYEPEODA-UHFFFAOYSA-N
ID: 128870
SMILES:CC1=CC2C(C(C)(C)Oc3ccc([N+](=O)O)cc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.34
CB1 binding score: -16.304
InChIKey:QCZFTIYGGWAOSD-UHFFFAOYSA-N
ID: 128871
SMILES:C1C(O)C(C)(C)Oc2c(CCCCC)cc(O)c(C)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.392
CB1 binding score: -14.924
InChIKey:GOXJFHFIRWIHKC-UHFFFAOYSA-N
ID: 128872
SMILES:O=C(OCCc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C=C2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.521
InChIKey:XBDQCGCTIYLNAX-UHFFFAOYSA-N
ID: 128873
SMILES:Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 128874
SMILES:CC(C)C1(OO)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -11.745
InChIKey:NMLFAZDWMFUIRB-UHFFFAOYSA-N
ID: 128875
SMILES:Oc1c2c(cc(CCCC(C)=O)c1)CC1C(C)(O2)CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.627
InChIKey:RNJWSIRNWUFKQV-UHFFFAOYSA-N
ID: 128876
SMILES:c1(O)c(C2C(C(C=CC=C(C)C)C)(C)CC(OC(=O)C)C(C)=C2)c(OC(C)=O)c(OC)cc1CO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.605
CB1 binding score: -12.753
InChIKey:FNQLXTCUHLEROS-UHFFFAOYSA-N
ID: 128877
SMILES:C1C(O)C(C)(C)C2c3c(O)cc(CCCCC)cc3OC(C)(CC2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.67
InChIKey:HWBXGOJSZFUACS-UHFFFAOYSA-N