ID: 134884
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)CC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.129
InChIKey:ZTGXAWYVTLUPDT-UHFFFAOYSA-N
ID: 134885
SMILES:c12c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1C(=O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -16.675
InChIKey:CGPDQFUVPVMNNS-UHFFFAOYSA-N
ID: 134886
SMILES:C(=C(C)C(=O)O)CCC1(C)Oc2c(CCCCCC)cc(O)cc2CC1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -12.234
InChIKey:FHICCKGSUFVCDI-UHFFFAOYSA-N
ID: 134887
SMILES:CCCCCCc1ccc2c(c1)OC(C)(C)C1=C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.885
InChIKey:LWOMEYDJCOQPRX-UHFFFAOYSA-N
ID: 134888
SMILES:C1(C(c2ccc(O)cc2OC)O)=CC2(C(=O)OC)C(C(CC(C)C)=O)=CC2C(=O)C12OC(C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.571
CB1 binding score: -14.914
InChIKey:MGAIPWKQSBPLEH-UHFFFAOYSA-N
ID: 134889
SMILES:c1(C(O)=C(CCC=C(C)C)C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -16.669
InChIKey:URSOFJGZOYTROB-UHFFFAOYSA-N
ID: 134890
SMILES:C1=C(C)CCC=C(C)CC2C(C(C)(C)Oc3ccc(O)cc32)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.17
InChIKey:XOBFWGGXRFRKJN-UHFFFAOYSA-N
ID: 134891
SMILES:C1C(C(O)(C)C)C(c2c(O)cc(CCC)cc2O)C(C(C)=C)C2CC(C)(O2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -12.694
InChIKey:LKNFARDFAKQQGX-UHFFFAOYSA-N
ID: 134892
SMILES:C(c1nc(OC)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 287.403
CB1 binding score: -13.083
InChIKey:GMLZQRABCWUVRC-UHFFFAOYSA-N
ID: 134893
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 134894
SMILES:C1(C)(C)C2CC=C(C)CC2c2c(O)cc(CCCCC[N+](C)(C)C)c(C)c2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.628
CB1 binding score: -14.502
InChIKey:ASFAOQJDABRVNI-UHFFFAOYSA-O
ID: 134895
SMILES:COc1c(CC=C(CC=CC(C)(C)O)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.334
InChIKey:AFSHLXLGQFRFPZ-UHFFFAOYSA-N
ID: 134896
SMILES:CC1(C)C(OC)=C(C)C2(CC1)c1c(O)cc(CCC)cc1OC(C)(C)C2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -13.633
InChIKey:NUSOPDKDFHZZMH-UHFFFAOYSA-N
ID: 134897
SMILES:C=C1CCC(C(C)=C)C(c2c(O)cc(CCC)cc2O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.259
InChIKey:WBSDIJSTEIXLSI-UHFFFAOYSA-N
ID: 134898
SMILES:CC1(C)Oc2cc(CCCCC)c(O)c3c2C(=O)C1(CC=C(C)C)CC=C3C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -15.47
InChIKey:CKMZCBRXOUKKSZ-UHFFFAOYSA-N
ID: 134899
SMILES:C(CC)c1c(O)c2c(c(O)c1C)C1C(=C(C)CCC1C(C)=C)OC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -14.502
InChIKey:YZUROCJFNVEGJO-UHFFFAOYSA-N
ID: 134900
SMILES:O1c2cc(CCCCC)ccc2C2C(CC=C(C)C)C3=C(OC(C)(C)C=C3)C1=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 390.567
CB1 binding score: -14.239
InChIKey:SGJHSJXCAILIKQ-UHFFFAOYSA-N
ID: 134901
SMILES:CC1(C)C2CC=C(CO)CC2c2c(cc(CCC(C)=O)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.248
InChIKey:OOBWOQNVPIFIOW-UHFFFAOYSA-N
ID: 134902
SMILES:c1(O)cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.957
InChIKey:ZSBGNUPOFUYDMQ-UHFFFAOYSA-N
ID: 134903
SMILES:c1(OC)cc2c(cc1C)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.612
InChIKey:SLTRZKCTTPRABF-UHFFFAOYSA-N
ID: 134904
SMILES:C1(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N