ID: 115711
SMILES:C1(=C)C(=O)c2c(c(O)cc(CCCCC)c2)C2C(=O)c3c(OC)c(O)c(C)cc3OC2(C)CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.558
CB1 binding score: -15.562
InChIKey:YOJDJZBQLMKEMD-UHFFFAOYSA-N
ID: 115712
SMILES:c1(O)cc(C(C(N)=O)C(=O)O)cc(O)c1C1CC(C)CCC1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 347.411
CB1 binding score: -12.046
InChIKey:CUTSCRKVSCBGBN-UHFFFAOYSA-N
ID: 115713
SMILES:c1(C2C=C(C)CCC2C(=C)C)c(OC)cc(OC)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -17.742
InChIKey:GBNCVURGFWWDAT-UHFFFAOYSA-N
ID: 115714
SMILES:C1(C)(C)Oc2cc(CCCCC)c(C(OCC(C)C)=O)c(C)c2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.727
InChIKey:PQYYNOHQNUBIMH-UHFFFAOYSA-N
ID: 115715
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2C=C(CO)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -19.932
InChIKey:YRIJETKCLFDWJX-UHFFFAOYSA-N
ID: 115716
SMILES:Cc1cc2c(c(O)c1)CC(C(=C)C)C(CC(=O)O)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -14.807
InChIKey:PCYKAHNIQVKRPU-UHFFFAOYSA-N
ID: 115717
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.622
InChIKey:NEBZNJDFIPBXCS-UHFFFAOYSA-N
ID: 115718
SMILES:CCCc1c(C=O)c(O)c2c(c1)OC(C)(C)C1=C2CC(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -17.46
InChIKey:YOAIBOYYWZLALI-UHFFFAOYSA-N
ID: 115719
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(C)(C)O2)CCC(CCCC(C)CCCc2ccoc2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.733
CB1 binding score: -16.491
InChIKey:NVAVQNYFTDENEP-UHFFFAOYSA-N
ID: 115720
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 115721
SMILES:Oc1c(CC2(C)OC(C)(C)C=CC2)c(CC2=C(C)CCC(CCC=C(C)C)=C2)c(O)c(C=O)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.645
CB1 binding score: -14.366
InChIKey:IHQPIETTXOZNFJ-UHFFFAOYSA-N
ID: 115722
SMILES:C1(C(C)(C)OC(=O)CC)CCC(C)=CC1c1c(O)cc(CC=C(C)C)c(CC=C(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -15.374
InChIKey:WWPCDZBXYGCWTD-UHFFFAOYSA-N
ID: 115723
SMILES:CNC(c1c(O)c2c(cc1CCCCC)OC(CCC(C)C(C)=C)(C)C1CCCC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 427.673
CB1 binding score: -15.826
InChIKey:OFXJMIQOIBAGSU-UHFFFAOYSA-N
ID: 115724
SMILES:c1(C2C=C(C)CCC2C(C)C)c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -21.398
InChIKey:WPVARKYNWHKQMW-UHFFFAOYSA-N
ID: 115725
SMILES:O=C1C(C)(C)c2cc(CCCCC)cc(OC)c2CC1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -15.39
InChIKey:JZSIYXJGURLDOX-UHFFFAOYSA-N
ID: 115726
SMILES:C(Cc1ccc2c(c1)OC(C)(C)C1CCC(C)=CC12)(O)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -16.029
InChIKey:CAKVHSYPCLRHKL-UHFFFAOYSA-N
ID: 115727
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(=C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.198
InChIKey:NUXUDGMVYZUFNQ-UHFFFAOYSA-N
ID: 115728
SMILES:c12c3cc(O)c(OC)c1C(c1c(O)cc(CCCCC)cc1O)C(C(C)(C)O2)CC3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -14.946
InChIKey:NNSDLZYMYIZRDL-UHFFFAOYSA-N
ID: 115729
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 115730
SMILES:c1(COC(=O)C(O)(CC(O)=O)C)cc(OC)c(C2C(C(C)=C)CCC(C)=C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -14.208
InChIKey:LPHLBNFFEVJORG-UHFFFAOYSA-N
ID: 115731
SMILES:C(C)(OC1(C)CCC(=C(C)C)Cc2c(O)cc(CCCCCO)cc2O1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.929
InChIKey:KXEQPLXXEZKOQX-UHFFFAOYSA-N