ID: 25747
SMILES:C(=C(C)C)c1c(O)cc(CCCCC)cc1OC(C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -16.485
InChIKey:VIWLFLBGBQKXQU-UHFFFAOYSA-N
ID: 25748
SMILES:O1c2c(c(C(=O)OC)c(O)c(C(C(CCCCC)C)C)c2O)C2C=C(C)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -14.029
InChIKey:UVSRQHLZYFJISV-UHFFFAOYSA-N
ID: 25749
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C(CCC(O)(C)C1CCC(C)(C=C)O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -16.333
InChIKey:QRPMIARMLNJZGR-UHFFFAOYSA-N
ID: 25750
SMILES:C(CC)CCc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 25751
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C3(CC(C(C)(C)O1)C3)OC(C)(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.592
InChIKey:ODLLLQVVOSILEC-UHFFFAOYSA-N
ID: 25752
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(C)(C)O)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.486
CB1 binding score: -18.046
InChIKey:MXECOWWPQRFPTG-UHFFFAOYSA-N
ID: 25753
SMILES:CC(=CCCC(C)=CCCC1(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -17.872
InChIKey:PIWDPVFUVKGKSR-UHFFFAOYSA-N
ID: 25754
SMILES:C1(CCCC)=c2c(c3c(c1)C(=O)OC3)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -15.061
InChIKey:YFMWZXXFDSCEAI-UHFFFAOYSA-N
ID: 25755
SMILES:CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -20.175
InChIKey:RVWTXSLOGRTPEH-UHFFFAOYSA-N
ID: 25756
SMILES:C1(C(C)=C)C(c2c(O)cc(CCCC(C)O)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.686
InChIKey:UZIVICVRBBCBHK-UHFFFAOYSA-N
ID: 25757
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 25758
SMILES:C12CC1(c1c(O)cc(CCCCC)cc1O)C(C)(C)C(=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.855
InChIKey:XSHIVCITSGVHKY-UHFFFAOYSA-N
ID: 25759
SMILES:C(CCCC)c1cc2c(c(O)c1)C1(C)CC(O1)C(=O)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.263
InChIKey:MPJAICOUPHLTJU-UHFFFAOYSA-N
ID: 25760
SMILES:C(O)(=O)c1c(O)c2c(c(C=O)c1OC1OC(CO)C(O)C(O)C1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.493
CB1 binding score: -14.13
InChIKey:KTZHVNHVBGYDEI-UHFFFAOYSA-N
ID: 25761
SMILES:C(C)CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -18.585
InChIKey:NZUUGMLOXJAJLR-UHFFFAOYSA-N
ID: 25762
SMILES:C(C1CC(C)=CC2c3c(O)cc(CCCCC)cc3OC(C2(C)C)C1)C(OC)C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: -14.324
InChIKey:SYTUKMYHTRNXRT-UHFFFAOYSA-N
ID: 25763
SMILES:C(CCCCCCN)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 371.565
CB1 binding score: -15.521
InChIKey:QAZDKHFTKHQMTG-UHFFFAOYSA-N
ID: 25764
SMILES:c1(CCCCCC)cc(OC)c2c(c1)OC(C)(C)C1CC=C(C(O)=O)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.526
InChIKey:FUMNTDRBHNSMKV-UHFFFAOYSA-N
ID: 25765
SMILES:C(CCC)Cc1cc(O)c(CC=C(C)CCC=C(C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.003
InChIKey:KXYIDYXHLDYCQN-UHFFFAOYSA-N
ID: 25766
SMILES:O=C(C)Oc1c2c(c(CCC)cc1O)OC(C)(CCC=C(C)C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.466
CB1 binding score: -16.187
InChIKey:GUOPBMIIZITCLZ-UHFFFAOYSA-N
ID: 25767
SMILES:C(CCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(=O)C2=O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -16.206
InChIKey:RFTMGTVMADNGFZ-UHFFFAOYSA-N