ID: 21400
SMILES:C1(C)=C2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.524
InChIKey:USODFRMMCODFKQ-UHFFFAOYSA-N
ID: 21401
SMILES:C1=C(C)CCC(C(C)C)C1c1c(O)cc(O)cc1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.552
InChIKey:NTAOUDSPFRSFNS-UHFFFAOYSA-N
ID: 21402
SMILES:Oc1cc(CCCCC)cc(CC=C(C)CCC=C(CCC=C(C)C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -17.409
InChIKey:ABHCXJLDCYXJCS-UHFFFAOYSA-N
ID: 21403
SMILES:c12cc(CCCCC)ccc1OC(CCC=C(C)C)(C)C(O)=C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.12
InChIKey:PRUJPQBQEUDYJD-UHFFFAOYSA-N
ID: 21404
SMILES:c12c(cc(C(C)(O)CCCCCC)cc1O)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.706
InChIKey:DQBSNVGISSYHGT-UHFFFAOYSA-N
ID: 21405
SMILES:c1(C)c2c(cc(O)c1)CCC(CCC=C(CCC=C(C)C)C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -15.434
InChIKey:YZVGXFWGDDGRDI-UHFFFAOYSA-N
ID: 21406
SMILES:C(CC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 21407
SMILES:C1C2(C)C(CCC(C)=CC2c2c(OC)cc(CCCC)cc2O)OC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.294
InChIKey:NHQNLRJCBQASMB-UHFFFAOYSA-N
ID: 21408
SMILES:COc1cc2c(cc1C(OC(=O)C)C(O)C)OC1(C)C(C2)CC=C(CCC=C(C)C)C1(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.742
CB1 binding score: -13.854
InChIKey:PDIWUOCZPYDORN-UHFFFAOYSA-N
ID: 21409
SMILES:c1(OCCCC)cc(O)c(C2C(C(C)=C)CCC(C)C2)c(O)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.916
InChIKey:DZLMBBPZTFLYED-UHFFFAOYSA-N
ID: 21410
SMILES:C(Oc1c2c(cc(CCCC)c1O)OC(C)(C)C1CCC(C)=CC21)Cc1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.593
CB1 binding score: -14.083
InChIKey:SQOKMNYFRCJQHQ-UHFFFAOYSA-N
ID: 21411
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(OC)cc(O)c3C(OC)=O)CC2C(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -16.139
InChIKey:PHXMMNDHEOXQLG-UHFFFAOYSA-N
ID: 21412
SMILES:CC1(C)Oc2c(c(O)cc(CC(OC)=O)c2)C2C1CCC(C)=CCCC2=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -14.551
InChIKey:DNIRYNRDIXAFSJ-UHFFFAOYSA-N
ID: 21413
SMILES:C12C(C)CCC(C(C)C)=C1c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.717
InChIKey:HOMGAUHUAYBQDS-UHFFFAOYSA-N
ID: 21414
SMILES:C(CC1CC(C(C)C)C2c3c(cc(CCCCC)cc31)O2)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.524
CB1 binding score: -16.491
InChIKey:YUBMCBYEBWFODJ-UHFFFAOYSA-N
ID: 21415
SMILES:c1(=O)c(C(=O)CC(C)C)cc(O)c2c(c1O)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -11.748
InChIKey:FZESYRHKLODDBP-UHFFFAOYSA-N
ID: 21416
SMILES:O(c1c2c(cc(CCCCC)c1)OC(C(=C)C)C2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -16.56
InChIKey:RCRNYCWWMHWTRG-UHFFFAOYSA-N
ID: 21417
SMILES:c12c(c(C3C=C(C)CCC3C(C)=C)c(O)cc1OC(CCCCCCC)=O)CC(C)CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.635
CB1 binding score: -13.892
InChIKey:NVVUXVROFPCCHL-UHFFFAOYSA-N
ID: 21418
SMILES:c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.225
InChIKey:BEXSRXTVRHPHGL-UHFFFAOYSA-N
ID: 21419
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 21420
SMILES:C(C(Oc1cc(CCCCC)cc2c1OC(C)(C)C1(C=CC(C)(OO)CC1)O2)=O)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.584
CB1 binding score: -15.038
InChIKey:SIWHNJRTVHJSHW-UHFFFAOYSA-N