ID: 98827
SMILES:O1C2(c3c(cc(CCCCC)cc3O)OC1C(C)C)C=C(C1=CC3(C)C(C)CCC(=O)C3(O)CC1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.644
CB1 binding score: -16.504
InChIKey:JWOMDMCLZDRHEM-UHFFFAOYSA-N
ID: 98828
SMILES:C(C)NCCc1ccc(C2C=C(C)CCC2C(=C)C)c(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 297.486
CB1 binding score: -13.826
InChIKey:RGWWNXLTGZRIDN-UHFFFAOYSA-N
ID: 98829
SMILES:c1cccc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.41
CB1 binding score: -17.752
InChIKey:CJFQORFGFVBCSD-UHFFFAOYSA-N
ID: 98830
SMILES:C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3(O)CC(C)=CCC31C2=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -16.728
InChIKey:VPHMYHHQXPBKCR-UHFFFAOYSA-N
ID: 98831
SMILES:CC1=CC(c2c(O)c(C(=O)O)c(CCCCC)c(OC)c2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -14.692
InChIKey:QFBNQXNQQZHEKF-UHFFFAOYSA-N
ID: 98832
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 98833
SMILES:CC1CC2C(C(C)(C)Oc3c(C(=O)C(CC)C)c(O)cc(C)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.369
InChIKey:DSYPTOQDBKAESM-UHFFFAOYSA-N
ID: 98834
SMILES:c1(C(C(C=C)C)O)ccc(O)c(C2C=C(C)CCC2C(C)=C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -15.159
InChIKey:CCNJCLQSBJEQEB-UHFFFAOYSA-N
ID: 98835
SMILES:c1c(C2C=C(C)CCC2C(C)C)ccc(CCCCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 98836
SMILES:O1c2cc(CCCCC)cc(O)c2C2C=C(C)CCC2C1(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -17.852
InChIKey:SFUFRHMPPGZMCA-UHFFFAOYSA-N
ID: 98837
SMILES:c1(C=O)cc2c(cc1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.42
CB1 binding score: -18.45
InChIKey:HXZOLVRQLAQLGI-UHFFFAOYSA-N
ID: 98838
SMILES:c12cc(CCCCC)cc(O)c1OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.779
InChIKey:ZSDJPGLYWNHCIW-UHFFFAOYSA-N
ID: 98839
SMILES:C(Cc1c(C)c2c(c(OC)c1Cl)OC(C)(C)C1CCC(C)=CC21)CC1CCC(=C)C1CC(C(C)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 515.178
CB1 binding score: -14.91
InChIKey:FSZACUNODYQSBC-UHFFFAOYSA-N
ID: 98840
SMILES:c1cc(C)cc2c1C(C)(C)Oc1cc(CCCCC)c(C(=O)O)c(O)c1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -18.306
InChIKey:UWRRQIFESWSREZ-UHFFFAOYSA-N
ID: 98841
SMILES:Oc1c2c(cc(C=O)c1O)C1C(C(C)(C)O2)CC=C(CO)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -12.944
InChIKey:AVKJWIBMUYJZSF-UHFFFAOYSA-N
ID: 98842
SMILES:O1c2c(c3c(cc(CCCCC)cc3O)OC(C)(C)C=C2)C(O)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.449
CB1 binding score: -15.702
InChIKey:LQHWKHWFPZLSAO-UHFFFAOYSA-N
ID: 98843
SMILES:C(C)(C)C1=CC2C(C)(Oc3c(c(O)cc(CCCC)c3)C2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.958
InChIKey:UKRMLIZJEKSUIQ-UHFFFAOYSA-N
ID: 98844
SMILES:c1(CC=C(C)CCC=C(C)COC=O)c(O)cc(CCCCC)c(C(=O)O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.503
CB1 binding score: -15.552
InChIKey:KKUMFKPMSIUTSO-UHFFFAOYSA-N
ID: 98845
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 98846
SMILES:O=C(C)Oc1cc2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.199
InChIKey:HGOUZDOJAIERRN-UHFFFAOYSA-N
ID: 98847
SMILES:CCCCCc1cc2c(c(O)c1)C1C(O)(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.56
InChIKey:VBPOXSBFZQHISD-UHFFFAOYSA-N