ID: 84799
SMILES:C(C(C(CC)C)=O)C(C)CC(O)(C)c1c(C(=O)O)cc(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -15.037
InChIKey:HLMBZUHWTMVCTF-UHFFFAOYSA-N
ID: 84800
SMILES:C1(=O)C(C)CC2c3c(C)ccc(C)c3OC(C)(C)C2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -14.091
InChIKey:QAAASSFRUNNPET-UHFFFAOYSA-N
ID: 84801
SMILES:C1C(O)C(C)(C)Oc2c1c1c(cccc2CCCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -14.559
InChIKey:OSFKOPKTHQUFTM-UHFFFAOYSA-N
ID: 84802
SMILES:c1c(CCCCC)c2c(cc1O)OC1(C)OCC(C)C1C2
Pathway: Polyketides
Superclass: Meroterpenoids;Cyclic polyketides
Class: Cannabinoids;Fungal cyclic polyketides (Miscellaneous)
MW: 290.403
CB1 binding score: -16.867
InChIKey:NZJISLLYFUNDDM-UHFFFAOYSA-N
ID: 84803
SMILES:CC(C)C(=O)c1c(O)cc(O)c2c1OC(C)(C)C1CC=C(CO)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -16.25
InChIKey:AMBBTBFYWVQOQR-UHFFFAOYSA-N
ID: 84804
SMILES:Cc1cc(O)c2c(c1)OC(C)(C)C1(OC)C=C(C)C(CCC(C)=CC2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.198
InChIKey:CKEMUBUPUNCDNM-UHFFFAOYSA-N
ID: 84805
SMILES:C(c1cc(O)c(CC=C(C)C)c(O)c1)C=C(C)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 314.469
CB1 binding score: -18.687
InChIKey:WLQHMAXRUPMVPI-UHFFFAOYSA-N
ID: 84806
SMILES:c1(CC2CCCOC2CO)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -14.605
InChIKey:OZJLZUZHCZEVFX-UHFFFAOYSA-N
ID: 84807
SMILES:c1(CCc2cc(O)cc(OC)c2)cc(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -16.906
InChIKey:HHRSKDJQUUNAFD-UHFFFAOYSA-N
ID: 84808
SMILES:C1(CC(C)C)c2c(O)cc(C)cc2OC(C)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.366
CB1 binding score: -16.447
InChIKey:VADHNPOTJNLPNF-UHFFFAOYSA-N
ID: 84809
SMILES:O1c2cc(CCCC)c(O)cc2C2C=C(C)CCC2C1(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -14.015
InChIKey:SPDZYUWWPVFMJR-UHFFFAOYSA-N
ID: 84810
SMILES:C=C(C)C1CCC(C)=CC1c1c(OC)ccc(CC[N+](O)(C)C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.492
CB1 binding score: -17.083
InChIKey:APHOZERXLQQVOV-UHFFFAOYSA-N
ID: 84811
SMILES:C1(C)(C)OC(=O)CC2C3=Cc4c(cc(C)cc4O)OC3(C)CCC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -15.288
InChIKey:VKAPMQKQDPBAQX-UHFFFAOYSA-N
ID: 84812
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(COC3C(O)C(O)C(O)C(CO)O3)(O)C(O)C21C)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 540.65
CB1 binding score: -17.152
InChIKey:SWDRJQKUZYBPGU-UHFFFAOYSA-N
ID: 84813
SMILES:OC1C(CO)OC(OC2(C)CCC3C(C)(C)Oc4c(c(O)cc(CCCCC)c4)C3C=C(C)CCC2O)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 578.743
CB1 binding score: -16.087
InChIKey:SKLDEAMKAZTSTE-UHFFFAOYSA-N
ID: 84814
SMILES:C(CC(C)=CCCC(=CCc1c(O)cc(CCc2ccccc2)cc1O)C)C=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.621
CB1 binding score: -19.13
InChIKey:IWSASXREQYAISF-UHFFFAOYSA-N
ID: 84815
SMILES:C(CC)CCc1cc(O)c(C2C=C(C(O)=O)CCC2C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.496
InChIKey:GLELXQOALSIMRJ-UHFFFAOYSA-N
ID: 84816
SMILES:CCCCCc1c(C(=O)O)c2c(c(O)c1)C1CC(CO)C=CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.722
InChIKey:PMGPVPJRDQKPJJ-UHFFFAOYSA-N
ID: 84817
SMILES:Clc1ccc(O)c(C2C(C(=C)C)C(c3c4c(c(O)cc3O)CC(C(C)(C)O)O4)CC(C)(C)O2)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 489.008
CB1 binding score: -12.819
InChIKey:NMBSGOSBDXLNCU-UHFFFAOYSA-N
ID: 84818
SMILES:CC(C)C(C(c1c(O)c2c(cc1C)OC(C)(C)C1CCC(C)=CC12)=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.159
InChIKey:VVOGTYNYEWLZFP-UHFFFAOYSA-N
ID: 84819
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1(O)C(O)C(O)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.481
CB1 binding score: -15.552
InChIKey:UXOSQLDHXHPPEA-UHFFFAOYSA-N