ID: 89692
SMILES:C(CCCC(O)=O)Cc1c2c(c(O)c(C(=O)C(CC)C)c1O)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -15.874
InChIKey:PRRLTMSWCRBEHM-UHFFFAOYSA-N
ID: 89693
SMILES:C(CCCC)c1cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 89694
SMILES:C(c1c(O)c(C=O)c2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -14.904
InChIKey:PZBBSWIQZVAAQH-UHFFFAOYSA-N
ID: 89695
SMILES:c1(C(CC2C(C)(C)O2)=O)c(O)c(C=O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -14.927
InChIKey:NGPRUQLGBFVANR-UHFFFAOYSA-N
ID: 89696
SMILES:C(C)(=C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 89697
SMILES:C1(=O)C(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)=CC=C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.826
InChIKey:JIZKVODSCXKCOO-UHFFFAOYSA-N
ID: 89698
SMILES:O(C)c1c(O)c(CC=C(C)CCC=C(C)C)cc(CCC)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.005
InChIKey:CRPFBGVFLCNYHH-UHFFFAOYSA-N
ID: 89699
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 89700
SMILES:C(CC1(C)Oc2c(c(O)cc(CCCCC)c2)C(O)C1O)C=C(C)COC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.519
CB1 binding score: -15.43
InChIKey:KCOQDQVJNKCRDZ-UHFFFAOYSA-N
ID: 89701
SMILES:C(=C(C)C)CCC1(C)Oc2cc(CCC)cc(O)c2C=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 89702
SMILES:C1(C)=CC2C(C(C)(C)Oc3c(O)cc(C(=O)C=C(C)CCC=C(C)CCC=C(C)C)c(O)c32)CCC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.7
CB1 binding score: -15.768
InChIKey:YOEPHUGPRFDXGQ-UHFFFAOYSA-N
ID: 89703
SMILES:OC1C=CC2C1c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -15.951
InChIKey:BYXMPAMSSDQBHT-UHFFFAOYSA-N
ID: 89704
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 89705
SMILES:O(C)c1c(O)c(C)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -16.657
InChIKey:AWQYGAQEBQAVDO-UHFFFAOYSA-N
ID: 89706
SMILES:C1(C)(C)Oc2c(c(OC)cc(CCCCC)c2)C(O)C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.391
CB1 binding score: -16.502
InChIKey:YIPOEFHPLKFIGQ-UHFFFAOYSA-N
ID: 89707
SMILES:C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 89708
SMILES:C(CC(C)C)C(=O)c1c2c(cc(O)c1O)C(=O)C1C3C(C(C)(C)O2)CCC(C)=C13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.499
CB1 binding score: -15.419
InChIKey:NXMNRUGSSDDEDM-UHFFFAOYSA-N
ID: 89709
SMILES:C(CCCC)c1cc(O)c(C2C(C(C)(C)O)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 89710
SMILES:O(c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -19.106
InChIKey:DEWSJDIJFWQLOA-UHFFFAOYSA-N
ID: 89711
SMILES:O=C1C(O)C2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2O)CC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -14.514
InChIKey:XWVNDRDPCFIQDG-UHFFFAOYSA-N
ID: 89712
SMILES:C(C)(=O)NC1(C)C(C)C2(Oc3c(c(O)cc(CCCCC)c3)C2)C(C)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 387.564
CB1 binding score: -13.847
InChIKey:LJTNKZJKHUNXJV-UHFFFAOYSA-N