ID: 43387
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: 43388
SMILES:CC1(Cl)CC2C(C(C)C)CCC(OC)(C)C3C(c4c(O)cc(CCCCC)cc4O3)C2OC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 493.084
CB1 binding score: -15.111
InChIKey:ZQKYSKNOWHSICA-UHFFFAOYSA-N
ID: 43389
SMILES:CC1(C=C)C=C2c3c(cc(CCCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -16.155
InChIKey:NIPDVSFOLWLXBR-UHFFFAOYSA-N
ID: 43390
SMILES:c1(C)c2c(ccc1OC)C1C(CCC1=C)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.752
InChIKey:PVTIDUIQGXXGGN-UHFFFAOYSA-N
ID: 43391
SMILES:C1(Cl)(C)CC(c2c(O)cc(CCCCC)cc2O)C(C=C(C)C)C(=O)C1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.923
CB1 binding score: -12.232
InChIKey:AKJPYKVRUFPGLV-UHFFFAOYSA-N
ID: 43392
SMILES:OC12C(=CC(=O)CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.886
InChIKey:NQMTXBHSARUNTL-UHFFFAOYSA-N
ID: 43393
SMILES:C1(C)(C)C2C3C(=O)C=CC2(C)C=C3C(O)=C(C(C(C(CC)C)OC(=O)C)C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -11.898
InChIKey:LMBLQCRBHYAKJY-UHFFFAOYSA-N
ID: 43394
SMILES:c12cc(CCCCC)cc(O)c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.438
InChIKey:NKPBIUKTNLMNFS-UHFFFAOYSA-N
ID: 43395
SMILES:CC1CCC2C(C)(C)Oc3cc(CCCC)cc(O)c3C2C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.165
InChIKey:XOMYDTHLVZROIC-UHFFFAOYSA-N
ID: 43396
SMILES:c12cc(CCCCC)ccc1OC(C)(C)C1CCC(C)(O2)C(O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.503
InChIKey:CLTRIRLIHMKBTD-UHFFFAOYSA-N
ID: 43397
SMILES:CC1(C)Oc2c(c(O)cc3c2C=CC(C)(CCC=C(C)C)O3)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.234
InChIKey:KCZOAOONRFHYAY-UHFFFAOYSA-N
ID: 43398
SMILES:C1=C(C)C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.384
InChIKey:HIBAEAABQVJJON-UHFFFAOYSA-N
ID: 43399
SMILES:CC1(C=C)CCC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.735
InChIKey:FMARVNBHFUIUNJ-UHFFFAOYSA-N
ID: 43400
SMILES:O1c2c(c(O)cc(CCCCC)c2)C23C14C(C(C)(C)OC2CC3)C(OC(=O)C)CC4C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.569
CB1 binding score: Not available
InChIKey:KUYSQIRIVMRGEG-UHFFFAOYSA-N
ID: 43401
SMILES:C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)c(OC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.939
InChIKey:FIZBEIJZQSRACP-UHFFFAOYSA-N
ID: 43402
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2CC(O)(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.269
InChIKey:SEZYEGYUECNXNK-UHFFFAOYSA-N
ID: 43403
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(CCC=C(C)C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -16.488
InChIKey:ATSUNPYJANDMHJ-UHFFFAOYSA-N
ID: 43404
SMILES:CC1=CC2c3c(cc(CCCCC)cc3O)OC(C1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.099
InChIKey:IMWCHVFCCPUDQN-UHFFFAOYSA-N
ID: 43405
SMILES:C(CC)Cc1ccc(O)c(C2C=C(C)CCC2C(C)=C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -17.823
InChIKey:MJPGPIDFMYMEIN-UHFFFAOYSA-N
ID: 43406
SMILES:C(CC(=O)O)Cc1c2c(c(O)c(O)c1)OC(CCC=C(C)C)(C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.423
CB1 binding score: -17.173
InChIKey:PFFVZZLEZKQOMD-UHFFFAOYSA-N
ID: 43407
SMILES:O(C)c1cc(CCCCCC)cc2c1C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -15.607
InChIKey:LVSXBSMOUVWKIA-UHFFFAOYSA-N