ID: 36457
SMILES:c1c(-c2cc3c(cc(CCCCC)cc3O)OC2(C)C)cc(Br)c(C=O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 429.354
CB1 binding score: -15.929
InChIKey:VYNQVYAOJJJNLE-UHFFFAOYSA-N
ID: 36458
SMILES:C1(C)C2C(c3c(O)cc(CCCCC)cc3O1)C(C(C)=C)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.335
InChIKey:JZKOEWJOXMUHJU-UHFFFAOYSA-N
ID: 36459
SMILES:C(Oc1c(C)c2c(o1)CC1C=C(C)CCC1C(C)(C)O2)(CC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.78
InChIKey:LJGNGXIWOWPUOP-UHFFFAOYSA-N
ID: 36460
SMILES:C1(C)=C2OC(c3c(O)cc(CC)cc3O)C(CC2)C1(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.387
CB1 binding score: -15.306
InChIKey:SSCCORCZMOAUTO-UHFFFAOYSA-N
ID: 36461
SMILES:C12C=C3C(C)(CCCC3(C)C)CC1c1c(O)cc(CCCCC)cc1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -16.254
InChIKey:MELLIBIIAUKMIC-UHFFFAOYSA-N
ID: 36462
SMILES:CC(O)(C1=CC(=O)C2(C)C3C(CC2)C(CO)(C)Oc2cc(CCCCC)c(O)c(O)c2C31)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.595
CB1 binding score: -17.98
InChIKey:CYXLJPBBYDRGRL-UHFFFAOYSA-N
ID: 36463
SMILES:COc1c(CCCCC)ccc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.524
InChIKey:SIMGPDAKFQAWDE-UHFFFAOYSA-N
ID: 36464
SMILES:c1(C=O)cc2c(c(O)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -19.843
InChIKey:PIDMGBLWRCHVIJ-UHFFFAOYSA-N
ID: 36465
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 36466
SMILES:C(C)(=O)C1=C2C(C)(CC(O)C3(C)CCC=C(C)C23)oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.581
CB1 binding score: -16.423
InChIKey:KGESMRGQAXZPOV-UHFFFAOYSA-N
ID: 36467
SMILES:O(c1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)CCC=C(C)C)C=C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -18.505
InChIKey:HDFDVFHITGCJEG-UHFFFAOYSA-N
ID: 36468
SMILES:C(CCC)Cc1c2c(c(O)c(CC3=C(C)CC(C)(C)CC3)c1O)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.706
CB1 binding score: -14.403
InChIKey:TWTJKFVHWKFAIQ-UHFFFAOYSA-N
ID: 36469
SMILES:Oc1c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 36470
SMILES:C(C(C)CCc1cccc(CCC)c1)CCc1cc(C2CCCC2)cc(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.6
CB1 binding score: -15.588
InChIKey:VYIVOBHNJMCJRE-UHFFFAOYSA-N
ID: 36471
SMILES:C(=O)c1cc2c(c3c1CCC=C(C)C3)OC(C)(C)C1C2CC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.475
CB1 binding score: -15.848
InChIKey:QVGOFQIPLKBLHJ-UHFFFAOYSA-N
ID: 36472
SMILES:C(CC=C(C)C)C(C)=CCc1c(O)c(C(OC)=O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 374.521
CB1 binding score: -19.567
InChIKey:RSOBBJCWWQRAAM-UHFFFAOYSA-N
ID: 36473
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 36474
SMILES:C(CCCCCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.594
CB1 binding score: -15.588
InChIKey:YYDGYJNGZYDTAO-UHFFFAOYSA-N
ID: 36475
SMILES:CC1(C)C(c2c(O)cc(CCCC)cc2O)CC(C)=CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.071
InChIKey:LEKVCBDAEFFHOJ-UHFFFAOYSA-N
ID: 36476
SMILES:C(CCC)Cc1cc(O)c2c(c1)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: 36477
SMILES:C(c1cc(O)c2c(c1C(C)C)OC(C)(C)C1CCC(C)(O)CC21)CC(C)(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.564
CB1 binding score: Not available
InChIKey:JTBKRQNOBDPJKZ-UHFFFAOYSA-N