ID: 55441
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2CC(C)(C)C(O)CC12c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.528
CB1 binding score: -16.157
InChIKey:CDNCFWXLQXYJFH-UHFFFAOYSA-N
ID: 55442
SMILES:c1c(O)c2c(c(CC(C(O)(C)C)O)c1)OC(C)(C)C1CC=C(C(=O)O)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -13.536
InChIKey:NKURTPPVTMNASL-UHFFFAOYSA-N
ID: 55443
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55444
SMILES:CC(C)=CC(c1cc(CCCCC)c(OC)c2c1OC(C)(C)C1=C2C(=O)C(C)(O)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.58
CB1 binding score: -16.461
InChIKey:SNVYJJOTVMFMAA-UHFFFAOYSA-N
ID: 55445
SMILES:C(C)CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(O)C(=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.527
InChIKey:WWVXHKRVYJEVNU-UHFFFAOYSA-N
ID: 55446
SMILES:c1(CCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)cc(O)c(CCC=C(C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.543
CB1 binding score: -13.91
InChIKey:PQKWFVICYVAVJZ-UHFFFAOYSA-N
ID: 55447
SMILES:C1C(C)=CCC2C(C)(C)Oc3cc(CCC(OC)OC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.234
InChIKey:WZQODAKTAQMJJZ-UHFFFAOYSA-N
ID: 55448
SMILES:CC(C1(C)CC2(c3c(O)cc(CCCCC)cc31)OC(C)(C)C(O)C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.538
CB1 binding score: -13.706
InChIKey:KTJJLPNHWOXAMH-UHFFFAOYSA-N
ID: 55449
SMILES:c1(CC2C(C)(C)OC(=O)C2)c(CCCCC)c(CC=C(C)C)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.627
InChIKey:RNTFLRYEAVHSSH-UHFFFAOYSA-N
ID: 55450
SMILES:C1=C(C)C2C(O)C(C)(C)CCCC3(CO)OC32c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -15.526
InChIKey:XAAGIEZJJQVEAV-UHFFFAOYSA-N
ID: 55451
SMILES:CC(C)=CCCC(=CCc1cc(C(=O)O)cc2c1OC(C)(C)C1C2CC(C)=CC1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.582
CB1 binding score: -18.215
InChIKey:WEPRRWYVXHXKQJ-UHFFFAOYSA-N
ID: 55452
SMILES:O1c2c(c(O)cc(CCC)c2)C2C=C(C(O)=O)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -18.036
InChIKey:BTTRWQMCLAXICU-UHFFFAOYSA-N
ID: 55453
SMILES:c1(O)cc(CCCCC)cc2c1C13C(CC(=C(C)C)C1=O)C(C)CCC3([N+]#[C-])C(C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 419.609
CB1 binding score: -12.341
InChIKey:FXNNREIJCRFYEA-UHFFFAOYSA-N
ID: 55454
SMILES:CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 55455
SMILES:c12c(ccc(CCCCC)c1)OC(C)(C)C1C2CC(O)(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -14.908
InChIKey:CVWSIMYBPXZPQR-UHFFFAOYSA-N
ID: 55456
SMILES:C(CC(C)=CCc1c(O)c(C(=O)O)cc(CCCCC)c1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 344.495
CB1 binding score: -19.654
InChIKey:TURBAOCYHPEVOM-UHFFFAOYSA-N
ID: 55457
SMILES:C(C)(C)C1CC(=O)C(C)=CC1c1c(O)cc(CCCCCO)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.654
InChIKey:QCZJAZXCIATSSS-UHFFFAOYSA-N
ID: 55458
SMILES:c1(OC(=O)C)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -17.616
InChIKey:ZQTOAYRUQVUREE-UHFFFAOYSA-N
ID: 55459
SMILES:C(CCC)Cc1cc(O)c2c(c1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.349
InChIKey:PVWKYDHSQZSCHQ-UHFFFAOYSA-N
ID: 55460
SMILES:C(COc1c2c(O)cc(CCCCC)cc2c(O)c(C(OC)=O)c1O)C=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.606
CB1 binding score: -15.885
InChIKey:YIQLSXLWMSBSAO-UHFFFAOYSA-N
ID: 55461
SMILES:C(CCC(=CCOc1c2c(O)cc(CC)c1)C(=O)[N]C2)(O)C(O)(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.419
CB1 binding score: -15.913
InChIKey:YLUOMUPXVHSZNE-UHFFFAOYSA-N