ID: 60208
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(CC=CC(C)=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.47
InChIKey:UWIIHYKXDQBFIJ-UHFFFAOYSA-N
ID: 60209
SMILES:CC(C)C1C(c2cc(CCCCC)ccc2)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 284.487
CB1 binding score: -16.438
InChIKey:FZKDNZVILILJLN-UHFFFAOYSA-N
ID: 60210
SMILES:C(c1c2c(c(O)c(C(O)CCCCC)c1)OC(C)(C)C1C2CC(C)CC1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.565
CB1 binding score: -15.64
InChIKey:JLUVNZJNXICMEP-UHFFFAOYSA-N
ID: 60211
SMILES:c1c(C)cc2c(c1)C(C)(C)Oc1c-2c(O)c(C(=O)CC(C)C)c(O)c1CC(=O)C=CC(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.574
CB1 binding score: -12.639
InChIKey:FUSYBJIEJXATLM-UHFFFAOYSA-N
ID: 60212
SMILES:O(C(=O)c1c(CCCCC)cc2c(c1O)C1CC(C(C)C)C=CC1(C)O2)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -13.672
InChIKey:PNWGMLJWBFQVGF-UHFFFAOYSA-N
ID: 60213
SMILES:C(C(C)=CCc1c(OC)cc(CCCCC)c(C(O)=O)c1O)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -19.037
InChIKey:VAFRUJRAAHLCFZ-UHFFFAOYSA-N
ID: 60214
SMILES:c1(OC(C)=O)cc(O)c2c(c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -16.712
InChIKey:URZZOEBQZDMTQR-UHFFFAOYSA-N
ID: 60215
SMILES:C(C1=CCC2C(C)(C)Oc3c(cc(CCCCC)cc32)O1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -15.35
InChIKey:RSLZPEWBJXMTRM-UHFFFAOYSA-N
ID: 60216
SMILES:CC(CCCCCCc1c2c(c(O)c(C=O)c1O)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -13.916
InChIKey:ODCPYWKELLOAOK-UHFFFAOYSA-N
ID: 60217
SMILES:C1CCC(C)=CC(CC(=CCc2cc(O)cc(C)c2O)C)(C)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.617
InChIKey:PISGWZITVWKQIQ-UHFFFAOYSA-N
ID: 60218
SMILES:c1(CCCC)cc(O)c2c(c1O)OC(C)(C)C1CC=C(C)CC1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.94
InChIKey:ZKNJHIGHISWNJA-UHFFFAOYSA-N
ID: 60219
SMILES:C1C2C(C)(CCC3C(C)(CCC(Br)C3(C)C)Oc3c2c(O)cc(CCCCC)c3)CC=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 517.592
CB1 binding score: -14.752
InChIKey:WVAKEVZBKYFAAA-UHFFFAOYSA-N
ID: 60220
SMILES:C12=C(OC(C)(C)C3C1CC(C)=CC(=O)C3)C(C)=CC2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -16.408
InChIKey:ZSZAIVXASGOXOD-UHFFFAOYSA-N
ID: 60221
SMILES:OC(c1c(O)c(OS(=O)(O)=O)c2c(c1)OC(C)(C)C1C2CC(C)(O)C(Cl)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.91
CB1 binding score: -15.496
InChIKey:RAKNXOVKVWXJIP-UHFFFAOYSA-N
ID: 60222
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2(C)C3C(C2)C(C(C)C)=CC13
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -14.179
InChIKey:OVTMNFYQUAZWJF-UHFFFAOYSA-N
ID: 60223
SMILES:c1(OCc2ccc(Cl)cc2)cc(CCCCCC)cc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 453.066
CB1 binding score: -15.735
InChIKey:JSYPXRHXFLILGF-UHFFFAOYSA-N
ID: 60224
SMILES:C(C(C)CC=C(C)C)Cc1c2c(cc(OC)c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.15
InChIKey:FXIRHNHCCLEFOW-UHFFFAOYSA-N
ID: 60225
SMILES:C(CC)Cc1cc(O)c2c(c1)OC(C=CC=C(CCC=C(C)C)C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -14.535
InChIKey:HSNUGZWBZVZPLN-UHFFFAOYSA-N
ID: 60226
SMILES:OCC1C(O)C(O)C(O)C(Oc2cc3c(cc2C)OC(C)(C)C2CCC(C)=CC23)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.502
CB1 binding score: -18.505
InChIKey:YRPJFKXJHVVTFP-UHFFFAOYSA-N
ID: 60227
SMILES:c1(C)c(O)c2c(cc1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.619
InChIKey:SHCLMVIVSLULJK-UHFFFAOYSA-N
ID: 60228
SMILES:C(CCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(=O)O2)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.972
InChIKey:HSWKOBYUHYMJLK-UHFFFAOYSA-N