ID: 22450
SMILES:O1c2c(c(O)cc(CCCCC)c2)-c2c1C(C(CCC=C(C)C)C)CCC(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -16.362
InChIKey:ZXYYJEMYAZMMEY-UHFFFAOYSA-N
ID: 22451
SMILES:CCC=CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.148
InChIKey:DZJBKYUWGFJRNT-UHFFFAOYSA-N
ID: 22452
SMILES:C(C)c1cc(O)c(CC=C(CCC=C(C)C)C)c(C(O)=O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.437
InChIKey:DDGFRERDPNGMAW-UHFFFAOYSA-N
ID: 22453
SMILES:Oc1c(C(C(CC)=O)C)cc(O)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.208
InChIKey:PQZWUIVKUQMURD-UHFFFAOYSA-N
ID: 22454
SMILES:C(C1=CCC2C(C)(C)Oc3c(cc(C=O)cc3)CC12)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -16.193
InChIKey:WYBIYKVGYSYGSR-UHFFFAOYSA-N
ID: 22455
SMILES:Oc1c2c(c(C)c(C(C)(C)CO)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.552
InChIKey:ACUUYLKLENDQSU-UHFFFAOYSA-N
ID: 22456
SMILES:C(C)CCCCCCCCC(CC(C)=O)c1cc2c(cc1O)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 470.694
CB1 binding score: -14.985
InChIKey:LPGANRGGLLMZLR-UHFFFAOYSA-N
ID: 22457
SMILES:c1(CCCCC)cc2c(c(O)c1C(O)=O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.775
InChIKey:HRHJHXJQMNWQTF-UHFFFAOYSA-N
ID: 22458
SMILES:C12OC(C)(C)c3c(OC)cc(C)c4c3C(C3C(=O)CC3C4(C)C1)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -14.237
InChIKey:WNXXICJKSZKUNM-UHFFFAOYSA-N
ID: 22459
SMILES:C(CC(C)CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.502
InChIKey:WTBBPNLITORNHW-UHFFFAOYSA-N
ID: 22460
SMILES:C(c1c(OC)c2c(c(C=O)c1O)OC(C)(C)C1CCC(C)=CC12)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.967
InChIKey:QNAQWIVUIPFZQJ-UHFFFAOYSA-N
ID: 22461
SMILES:c1(O)c(CCC2=C(C)CCC3(C)C(C(=C)C)CC(O)C32C)cc(O)cc1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -14.652
InChIKey:MKWWRGRCHRGWGD-UHFFFAOYSA-N
ID: 22462
SMILES:c12c(c(CC=C(CCC=C(C)C)C)cc(C=O)c1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 408.582
CB1 binding score: -14.316
InChIKey:SZPCQCCXAKDQAL-UHFFFAOYSA-N
ID: 22463
SMILES:O(C1C(=C)C2(OO)C(C(C)(C)Oc3c2c(O)cc(CCC)c3)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -15.929
InChIKey:FHBWVRAAGJGOMV-UHFFFAOYSA-N
ID: 22464
SMILES:CC(=O)OC1C(C)(C)OC2(C)Oc3c(c(OC(C)C)ccc3)CC2C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -14.298
InChIKey:VHTWRFQBMCWUHF-UHFFFAOYSA-N
ID: 22465
SMILES:C(CCCC)n1c2c(c(O)c1C(=O)O)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 347.455
CB1 binding score: -14.688
InChIKey:WJKRPTLFCCWYFQ-UHFFFAOYSA-N
ID: 22466
SMILES:CCCCCCc1cc2c(c(O)c1)C1=C(C(CC(C)C)C3=C2O3)OC2(CC(C)(O)CCC2C(O)(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 510.715
CB1 binding score: -16.147
InChIKey:KEIGPUSKCUPMAT-UHFFFAOYSA-N
ID: 22467
SMILES:O1C(CCCCC)=C(O)C(=O)C=C1C1CC(C(C)=C)CC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: Not available
InChIKey:NLJWBISUVPYGBD-UHFFFAOYSA-N
ID: 22468
SMILES:C(OC(=O)c1c(CCCCC)cc2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -13.912
InChIKey:ARBVHNAFIPVJRH-UHFFFAOYSA-N
ID: 22469
SMILES:c1(OC(=O)C)c(C2C=C(C)CCC2C(=C)C)c(O)cc(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -17.16
InChIKey:UXKDSCGBWWLUOX-UHFFFAOYSA-N
ID: 22470
SMILES:c1(OC)c2c(c(CC(C)C)cc1)OC(C)(C)C1C2C=C(C(O)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -13.08
InChIKey:BZUAMIRXVQDQCY-UHFFFAOYSA-N