ID: 110776
SMILES:C(Cc1cc2c(c(O)c1)C1=C(CCC(C)=C1)C(C)(C)O2)CN(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 327.468
CB1 binding score: -14.791
InChIKey:IYDUSJVQLZLCSK-UHFFFAOYSA-N
ID: 110777
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(CCC(C)=C1)C(=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -17.389
InChIKey:HODRCWKEJZQPDI-UHFFFAOYSA-N
ID: 110778
SMILES:C(C)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -19.594
InChIKey:GBBIYEKUPBZPNQ-UHFFFAOYSA-N
ID: 110779
SMILES:C1(O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C(C(=C)COC(=O)CCC(=O)O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.567
CB1 binding score: -16.077
InChIKey:WQIPCEMABKQMOX-UHFFFAOYSA-N
ID: 110780
SMILES:c1(-c2cc(C(C)CCC)c(C3C(C(=O)OC)(C=O)CCS3)cc2)c(CCCCC)cc(OC)cc1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 564.832
CB1 binding score: -16.385
InChIKey:DYNQGKVTIUMHPU-UHFFFAOYSA-N
ID: 110781
SMILES:c1c(OC(=O)C)ccc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -17.142
InChIKey:BOKSXUVCNMISJY-UHFFFAOYSA-N
ID: 110782
SMILES:O=C1C(=O)c2c(O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -18.334
InChIKey:HJLDQSFDBVFHQA-UHFFFAOYSA-N
ID: 110783
SMILES:CC(=CCc1c(O)cc(C(O)CCCC)cc1O)CCC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 400.603
CB1 binding score: -14.435
InChIKey:AVBPPCPVZMMKFY-UHFFFAOYSA-N
ID: 110784
SMILES:Oc1c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.979
InChIKey:GKVOVXWEBSQJPA-UHFFFAOYSA-N
ID: 110785
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(C=O)c(C=O)c2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.354
CB1 binding score: -16.362
InChIKey:CUKCXRKUMGPSHZ-UHFFFAOYSA-N
ID: 110786
SMILES:c1c(OS(=O)c2ccccc2)c2c(cc1CCCCC)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.633
CB1 binding score: -15.823
InChIKey:IZMWYRLVDWCZJJ-UHFFFAOYSA-N
ID: 110787
SMILES:Oc1c(C2C(C(=C)C)CCC(C)=C2)c(OC)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.302
InChIKey:IPGGELGANIXRSX-UHFFFAOYSA-N
ID: 110788
SMILES:C1(C)=CCC2C(C1)c1ccc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.423
InChIKey:MRLLOLSGDYQJHB-UHFFFAOYSA-N
ID: 110789
SMILES:C1(c2c(O)cc(CCCCC)cc2OC)CC(C)=CCC1C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.696
InChIKey:HYNYRWBHLSVRRM-UHFFFAOYSA-N
ID: 110790
SMILES:C1(O)CC(C)=C2C=C(C(C)=C)CCC(C)(Oc3cc(CCCCCC)cc(O)c31)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -14.497
InChIKey:QQISYRKACWEYPD-UHFFFAOYSA-N
ID: 110791
SMILES:C1(C)CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.502
CB1 binding score: -17.372
InChIKey:ACOLREACBPQROW-UHFFFAOYSA-N
ID: 110792
SMILES:C(CCc1cc(Br)c(C2C=C(C)CCC2C(C)=C)c(O)c1)(=O)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 379.294
CB1 binding score: -15.374
InChIKey:KYQNRNZFDIQOQL-UHFFFAOYSA-N
ID: 110793
SMILES:C12C(CCC)(C)CCCC1(C)Oc1cc(C)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -13.084
InChIKey:PQCNTPAKBIREQU-UHFFFAOYSA-N
ID: 110794
SMILES:C1=C2OC(CC2C(C)C)C(C)(Oc2cc(CCCCC)cc(O)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -14.373
InChIKey:URLSCSYUMCEMFF-UHFFFAOYSA-N
ID: 110795
SMILES:c1(C2C(C(C)=C)CCC(C)=C2)c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.532
InChIKey:REOZWEGFPHTFEI-UHFFFAOYSA-N
ID: 110796
SMILES:Oc1cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N