ID: 97021
SMILES:C1(CO)=CC2C(C(C)(C)Oc3cc(C)c(O)cc32)C(O)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 290.359
CB1 binding score: -12.848
InChIKey:ILLYISTZRDBWFL-UHFFFAOYSA-N
ID: 97022
SMILES:C1CC(C)(C)C2C(C)(Oc3c(c(O)cc(CCC)c3)C2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 288.431
CB1 binding score: -18.4
InChIKey:IYJFZOBKCYBWAD-UHFFFAOYSA-N
ID: 97023
SMILES:C(CCc1cc(C2C=C(C)CCC2C(C)=C)c(O)c(C(C(CC)C)=O)c1O)C=Cc1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 472.669
CB1 binding score: -12.246
InChIKey:UAUZXYVNBYRMTQ-UHFFFAOYSA-N
ID: 97024
SMILES:C1(C)=CC(=O)c2c(c(O)cc(CCCCC)c2)C2C1CC1C(O)(C)CC(O)C2C1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -12.161
InChIKey:RAYYNBXHQWTXNP-UHFFFAOYSA-N
ID: 97025
SMILES:C1C=C(C)CCC2C(C)(C)Oc3cc(C(CCOC(=O)C)C(=O)OC)cc(O)c3CCC(CC(O)=O)=CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 542.669
CB1 binding score: -15.069
InChIKey:QDCDZSIHWKXIER-UHFFFAOYSA-N
ID: 97026
SMILES:CCCCCc1cc2c(c(O)c1)-c1cc(C)ccc1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 97027
SMILES:c1c2c(cc(CCCCC)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.248
InChIKey:ULSCPFQNHAPIEH-UHFFFAOYSA-N
ID: 97028
SMILES:C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 97029
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.534
InChIKey:INKUWBOHCFHXTJ-UHFFFAOYSA-N
ID: 97030
SMILES:C(Cc1cc(O)c2c(c1)OC(C(C)(C)O)C2)C=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.822
InChIKey:LHMBJCBIZWCNAI-UHFFFAOYSA-N
ID: 97031
SMILES:O(CC(=C)C1CCC2(C)C1c1c(cc(C)cc1O)OC2(C)C)C(=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.91
InChIKey:LPIGURDSDMJPTR-UHFFFAOYSA-N
ID: 97032
SMILES:CC12C(O)CC(C)=CC1c1c(cc(CCCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.622
InChIKey:BGHKRFKUHKHMSV-UHFFFAOYSA-N
ID: 97033
SMILES:CC1(C)C2C3C(C(c4c(O)c(C(O)=O)c(CCCCC)cc4O)C1)C(C)=CC3C=C(C)CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -15.631
InChIKey:UBWREKDUNSANCA-UHFFFAOYSA-N
ID: 97034
SMILES:C1(COC(CC(O)=O)=O)=CC2C(C=C1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.444
CB1 binding score: -17.106
InChIKey:DKXVPYHGVWFAGE-UHFFFAOYSA-N
ID: 97035
SMILES:C1(=O)C=C(C)C2(CC3C(C)(C)Oc4cc(CCCCC)cc(O)c43)C1CC(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -14.585
InChIKey:POIWOGWARMLGFZ-UHFFFAOYSA-N
ID: 97036
SMILES:C1(C)=CC(c2c(OC)ccc(CCN=[N+](C)C)c2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 327.492
CB1 binding score: -17.111
InChIKey:DQRPGQDMYGZOKY-UHFFFAOYSA-N
ID: 97037
SMILES:C(Cc1c(CCCCC)cc2c(c1O)C1=C(C(C)(C)O2)CCC2(C)C(CC(=O)C(C)=C1)O2)=CC(O)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.699
CB1 binding score: -15.995
InChIKey:JCFSRWUPAJASOL-UHFFFAOYSA-N
ID: 97038
SMILES:C1(C(C)=C)C(c2c(O)cc(CCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N
ID: 97039
SMILES:C12C(=C(C)C(=O)O1)C1c3c(ccc(CCCCC)c3)OC3C1(C)CCC1(OC2CC2(C)C(C13)O2)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.629
CB1 binding score: -15.29
InChIKey:FZYUANNTZVJJPX-UHFFFAOYSA-N
ID: 97040
SMILES:c1(OC)c(C(=O)c2c(OC)cccc2)c(O)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.494
CB1 binding score: -15.072
InChIKey:NWTWMRBERKPPPG-UHFFFAOYSA-N
ID: 97041
SMILES:C1(C)C(=O)OC2C3C(C)(CCC12)Oc1c(c(O)cc(CCC)c1)C3C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.236
InChIKey:MFNKYSAFIJUAFG-UHFFFAOYSA-N