ID: 87781
SMILES:O=C1C=C(C)C2(OC(=O)C)C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.22
InChIKey:RIUCIPKSFHNMGJ-UHFFFAOYSA-N
ID: 87782
SMILES:C(C)(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -19.394
InChIKey:IQDBYPKRWVDTCI-UHFFFAOYSA-N
ID: 87783
SMILES:O1c2cc(CCCCC)c(C(OC)=O)c(O)c2C2C3C(C)(C)C(CCC12C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -14.845
InChIKey:ICGZGOKDHBKJDC-UHFFFAOYSA-N
ID: 87784
SMILES:C1=C(C)CCC=C(C)CCC2C(C)(C)Oc3cc(CCCC)c(O)c(O)c2C3=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -15.689
InChIKey:HCRFXWOTJPZMQX-UHFFFAOYSA-N
ID: 87785
SMILES:C(CCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -15.67
InChIKey:IONHAFGRUYHUQU-UHFFFAOYSA-N
ID: 87786
SMILES:CC1(C)Oc2cc(O)cc(O)c2C2C=C(CCC=C(C)C)C(=O)CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -15.372
InChIKey:WJAMIXCRZUGCAV-UHFFFAOYSA-N
ID: 87787
SMILES:C1(CO)=C(C)CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.019
InChIKey:OXFATFWWNUGKOS-UHFFFAOYSA-N
ID: 87788
SMILES:Oc1cc(CCCCCC)cc2c1c(=O)c1c(o2)C(CC(=O)C)C2C(C(C)(C)O1)CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -14.289
InChIKey:XUYCJYZLFJMZOQ-UHFFFAOYSA-N
ID: 87789
SMILES:O=C(O)c1c(O)cc(CCCCC)cc1OC1(C=C)CC=C(C(CC(C)C)=O)C(=O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.497
CB1 binding score: -13.138
InChIKey:IBYZYUCPFUSSFV-UHFFFAOYSA-N
ID: 87790
SMILES:CC1(C)C=Cc2c3c(c(CO)ccc3c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.501
CB1 binding score: -14.639
InChIKey:ITPXPGWRRKIDHI-UHFFFAOYSA-N
ID: 87791
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 87792
SMILES:C1C(C(C)=C)Oc2c(c(O)cc(CCCCC)c2)C(O)C1C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.091
InChIKey:NCSVUJKZZTWCMG-UHFFFAOYSA-N
ID: 87793
SMILES:C(CCCC)CCc1cc(O)c2c(c1)OC(C)(C)C1=CCC3(C)C(O1)CCC3(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -12.662
InChIKey:IYSLOCYDNLNRGE-UHFFFAOYSA-N
ID: 87794
SMILES:c1c(-c2ccccc2C(=O)O)c(CCCCC)cc2c1OC1(C(C)CCC3C1(C)CCC(O)C(C)(C)O3)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 520.71
CB1 binding score: -14.158
InChIKey:CHLVHBSZUWXTON-UHFFFAOYSA-N
ID: 87795
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.349
InChIKey:PVWKYDHSQZSCHQ-UHFFFAOYSA-N
ID: 87796
SMILES:c1(OC(=O)C)c2c(ccc1C)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.473
CB1 binding score: -13.88
InChIKey:FXLFHNWCHHJZMK-UHFFFAOYSA-N
ID: 87797
SMILES:C=C(C)C1C2CCC(C)C3C(c4c(cc(CCCCC)cc4O)O3)C2(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -15.116
InChIKey:SPSLHMCHIDJYHR-UHFFFAOYSA-N
ID: 87798
SMILES:O1c2cc(CCCCC)c(O)c(CC=C(C)C)c2C=CC1(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -16.468
InChIKey:DOLNXASKYFNOCS-UHFFFAOYSA-N
ID: 87799
SMILES:C12c3c(cc(CCCCC)cc3O)OC(C)(C)C3CC1C(O)(CC3)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -13.46
InChIKey:JOJPEJQDYGHVGZ-UHFFFAOYSA-N
ID: 87800
SMILES:C1CC(C)=CCCC(C)=CC2c3c(O)cc(O)c(C(=O)C(CC)C)c3OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -14.861
InChIKey:QFZOVELNAFSPJI-UHFFFAOYSA-N
ID: 87801
SMILES:C1CC(C)=CC(O)(CC(C)=CCc2cc(O)cc(C)c2O)C1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.106
InChIKey:PVTKJJRPFHAMPB-UHFFFAOYSA-N