ID: 113737
SMILES:CC(=CCc1c(O)cc(CCCCC)cc1OC(=O)C)CC(C=C(CCC=C(C)C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 440.624
CB1 binding score: -15.799
InChIKey:BRSAXMMMCGWHBE-UHFFFAOYSA-N
ID: 113738
SMILES:C(C)(C)=CCCC(C)=C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -18.306
InChIKey:IRHPQTZYWYFXRF-UHFFFAOYSA-N
ID: 113739
SMILES:Oc1c(CC=C(C)C)c(OC)ccc1C1C(C(C)=C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.502
InChIKey:QIMFIMCXGZSOGQ-UHFFFAOYSA-N
ID: 113740
SMILES:CCCCCc1ccc2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 113741
SMILES:c12c(O)cc(CCC)cc1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.157
InChIKey:ZCWLNVDEFJORDC-UHFFFAOYSA-N
ID: 113742
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 113743
SMILES:C(NCCOc1c(CCCCC)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1)(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 399.575
CB1 binding score: -16.978
InChIKey:AHYSEWGJBRRKCY-UHFFFAOYSA-N
ID: 113744
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.225
InChIKey:XUERFRQVGLONMR-UHFFFAOYSA-N
ID: 113745
SMILES:C(CCCCCCCCC)CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.711
CB1 binding score: -15.881
InChIKey:IFQLVBYPELDDRD-UHFFFAOYSA-N
ID: 113746
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC(C)(O)CCC2Br
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 425.407
CB1 binding score: -15.254
InChIKey:IUQPZBVGHBKERJ-UHFFFAOYSA-N
ID: 113747
SMILES:c12c(c(O)cc(CCCCC)c1)C1C(C(=C)C)CCC(C)(O2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -17.078
InChIKey:YZQTVMSDGCKDQL-UHFFFAOYSA-N
ID: 113748
SMILES:C1(CO)=C2C(CC(C)(C)C2)c2c(cc(CCCCC)cc2OC(C)CCC=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.669
CB1 binding score: -12.209
InChIKey:XQWLQFCOKVMYKP-UHFFFAOYSA-N
ID: 113749
SMILES:CC(=CC(CC(C)C)=O)C1(O)CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -14.084
InChIKey:CMJSINGDIJXUNS-UHFFFAOYSA-N
ID: 113750
SMILES:C1=C(C)CC2C(C(C)(C)Oc3cc(CCC(CC)O)cc(O)c3)C(C)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -12.782
InChIKey:PBFFNFWZGCGBEX-UHFFFAOYSA-N
ID: 113751
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C1OC2(CO)CCC2C1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -14.119
InChIKey:XXGQOHQNSVGGRA-UHFFFAOYSA-N
ID: 113752
SMILES:c1cc(CC=C)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 268.4
CB1 binding score: -18.687
InChIKey:SZPUKLBOZDFLAF-UHFFFAOYSA-N
ID: 113753
SMILES:C12C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -17.813
InChIKey:KKVTXJLSWQRXEO-UHFFFAOYSA-N
ID: 113754
SMILES:C(CC(=CCc1c(OC(=O)C)cc(CCCCC)cc1OC(C)=O)C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -17.009
InChIKey:CQXYYVMHDFTWJQ-UHFFFAOYSA-N
ID: 113755
SMILES:c1(CCO)cc(O)c2c(c1)OC(C)(C)C1CCC(=C)CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.929
InChIKey:JBTHGVJDIUSOAN-UHFFFAOYSA-N
ID: 113756
SMILES:Oc1cc2c(c(O)c1)C1C(CC=C(CO)C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.332
CB1 binding score: -16.811
InChIKey:KJSUDRSLCZTIGZ-UHFFFAOYSA-N
ID: 113757
SMILES:C(CC=C(C)C)C1(C)C=Cc2c(O)cc(CCC(=O)O)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -17.16
InChIKey:CVKOASOLDJIIPJ-UHFFFAOYSA-N