ID: 33412
SMILES:Oc1cc(O)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.766
InChIKey:GNBSKWGIRCMMKP-UHFFFAOYSA-N
ID: 33413
SMILES:C1(c2c(O)cc(C(C)C(C(C)C=C(C)C)=O)cc2O)C2(C)CCC(=O)C(C)(C)OC2CCC1=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 468.634
CB1 binding score: -15.65
InChIKey:UMMWYFCBOFXHNF-UHFFFAOYSA-N
ID: 33414
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 33415
SMILES:CCCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C(C(CCCC)OC(=O)C)C)C2=C1C(=O)C1(O)C(C(C)(C)CCCC1C)=C2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 690.962
CB1 binding score: -14.326
InChIKey:IEQKFUSJUVAYCK-UHFFFAOYSA-N
ID: 33416
SMILES:c1(O)c2c(c(CCCCC)cc1O)OC(C)(C)C(=O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 278.348
CB1 binding score: -14.976
InChIKey:WVKZKVIIGTZQOZ-UHFFFAOYSA-N
ID: 33417
SMILES:O(C(=O)c1cc(-c2c(CCCCC)cc3c(c2O)C2C(CC(C)(C)O2)C=C(C(=O)O)C3)cc(CCCCCCC=C)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 588.785
CB1 binding score: -13.445
InChIKey:RIIIQQPHPZALKD-UHFFFAOYSA-N
ID: 33418
SMILES:C1(C)(C)CC(c2c(O)ccc(CCCCC)c2)C=C(C(O)=O)CO1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.44
CB1 binding score: -15.64
InChIKey:NTFLAXODKQOMPX-UHFFFAOYSA-N
ID: 33419
SMILES:C1(=O)c2c(cccc2)C2(c3c(O)cc(CCCCC)cc3O1)C(C)CCC1C(=C)CCC(C(C)C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 486.696
CB1 binding score: -13.809
InChIKey:CWAZYHHXKGYHAX-UHFFFAOYSA-N
ID: 33420
SMILES:Oc1c(O)c(CCCCC)cc(O)c1CC=C(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.433
InChIKey:PQJHNORQVFURSH-UHFFFAOYSA-N
ID: 33421
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 33422
SMILES:C1(C(C)C)C(c2cc(CCCCC)ccc2)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 284.487
CB1 binding score: -16.438
InChIKey:FZKDNZVILILJLN-UHFFFAOYSA-N
ID: 33423
SMILES:CC(C)=CCCC1(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 33424
SMILES:CC1(C)C2C(C3(CC2)c2c(O)cc(CCCCC)cc2OC3=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.8
InChIKey:LZSJEZOZMLTKOZ-UHFFFAOYSA-N
ID: 33425
SMILES:C(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C(O)(C)C1)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.655
InChIKey:DJIBQJGXQFHLPU-UHFFFAOYSA-N
ID: 33426
SMILES:CC(C1C2c3c(cc4c(c(O)cc(CCCCC)c4)c2O)OC(C)(C)C1CC3)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -16.725
InChIKey:VZSKIGOSOAPCRH-UHFFFAOYSA-N
ID: 33427
SMILES:C(C1=CC(C)C2C3C(=O)OC(CC3(CC)C(c3ccc(O)c(OC)c3)OC)C2C1)(C)CCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.704
CB1 binding score: -13.952
InChIKey:BDTXYHSFOITVKJ-UHFFFAOYSA-N
ID: 33428
SMILES:C12C3(c4c(O)cc(C)cc4OC3(C)C)OC(C)(C)C(C1)CCC2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.119
InChIKey:FWZSYXKVDCQUQV-UHFFFAOYSA-N
ID: 33429
SMILES:c12c(c(=O)cc(CCCCC)cc1O)C1OC(CCC1(O)C)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.024
InChIKey:FGGXSWAWGWEXHN-UHFFFAOYSA-N
ID: 33430
SMILES:CC12C(=O)C=C1C(C1CC=C(C)CC1)C(=O)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.538
CB1 binding score: -14.645
InChIKey:DNJPBGZLEVZUAA-UHFFFAOYSA-N
ID: 33431
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.972
InChIKey:NPEOBQQHMWEEER-UHFFFAOYSA-N
ID: 33432
SMILES:C1C(C)=CCC2C(C)(C)Oc3cc(O)cc(C)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.35
InChIKey:XAYRLUBHJAOWEN-UHFFFAOYSA-N