ID: 52669
SMILES:C1(=C)C2Oc3c(c(O)c(C(O)=O)c(CCCCC)c3)C(CC=C(CCC=C(C)C)C)C2(C)CCC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.672
CB1 binding score: -15.462
InChIKey:IEUQJSSHONYZNM-UHFFFAOYSA-N
ID: 52670
SMILES:C12c3c(O)cc(CCCCC)cc3OC(C)(CCC(C(=C)C)C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.489
InChIKey:IVRUAUGVDNLUPY-UHFFFAOYSA-N
ID: 52671
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2ccc(O)c3)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -16.813
InChIKey:IVKWKYZHGGLFES-UHFFFAOYSA-N
ID: 52672
SMILES:OC1C(O)C(OC2CC3(C)C(c4c(cc(C)cc4O)OC3(C)C)CCC(C)=C2)OC(CO)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.582
CB1 binding score: -14.374
InChIKey:SMEJPPPAQLHBMT-UHFFFAOYSA-N
ID: 52673
SMILES:c1(C(=O)C(C)C)cc(O)c2c(c1)OC(C)(C)C1C2CC(CCCc2ccoc2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.527
CB1 binding score: -14.15
InChIKey:TTYZJBBMQUVTLF-UHFFFAOYSA-N
ID: 52674
SMILES:C1(C)=CCC(C(C)=C)C(c2c(O)cc(C)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.334
InChIKey:OCTQIDRSDSFRBW-UHFFFAOYSA-N
ID: 52675
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2C(C1CCC=C(C)C)(C)CCC2C(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -16.646
InChIKey:ORZSOQWVNNCQMV-UHFFFAOYSA-N
ID: 52676
SMILES:c1(CC2CC(C)(C#N)CCCC2(C)C)cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 423.641
CB1 binding score: -16.036
InChIKey:KSNMXTAPVIOKFW-UHFFFAOYSA-N
ID: 52677
SMILES:c1(CCCCC)c(C(=O)O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 52678
SMILES:CC1C23C(=O)C(C)(C)C(CC14O2)CC3Oc1cc(CCCCC)cc(O)c14
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -14.055
InChIKey:UCWGAMNPCCSYIO-UHFFFAOYSA-N
ID: 52679
SMILES:C(CCCc1cc2c(c(O)c1)C1C(C(C)(O)C)CCC(C)C1C2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.593
CB1 binding score: -13.348
InChIKey:YNMCWIPFQUZWSE-UHFFFAOYSA-N
ID: 52680
SMILES:C1C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 52681
SMILES:C1(Cl)C(C)(C)Oc2c(c(OC)cc(CCCCC)c2)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.837
CB1 binding score: -15.703
InChIKey:LHOIYKKNDCYAOU-UHFFFAOYSA-N
ID: 52682
SMILES:CCCCCc1cc2c(c(O)c1)C1(CCC(C(CO)C)CC1O)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.537
CB1 binding score: -14.605
InChIKey:UAIDSQOHCSDMOP-UHFFFAOYSA-N
ID: 52683
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC(=O)C(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 52684
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(O)CO2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.317
InChIKey:ZRLPAAPCBDBAPO-UHFFFAOYSA-N
ID: 52685
SMILES:C(C)(=CCc1c(O)cc(CCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 52686
SMILES:O1c2c(cc(CCCCC)cc2O)C2C(C)(O)CCC2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.969
InChIKey:JXPGNYUXDHWARV-UHFFFAOYSA-N
ID: 52687
SMILES:C(CCCc1cc(O)c(CC=C(C)C)c(O)c1C1C(C(C)C)CCC(C)=C1)CCc1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 474.729
CB1 binding score: -14.159
InChIKey:XUHGTQIQVSPDLQ-UHFFFAOYSA-N
ID: 52688
SMILES:OC(c1c(O)c(C(=O)O)c(CCCCC)cc1O)CC=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -16.571
InChIKey:UZACHWDYFCKCNB-UHFFFAOYSA-N
ID: 52689
SMILES:C(C=C(C)C)c1c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N