ID: 72199
SMILES:c1(CCCCC)c(-c2cc(CCC)cc(O)c2)cc(O)c(CC=C(CCC=C(C)C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.663
CB1 binding score: -12.557
InChIKey:XFWUPIWLJCZYOO-UHFFFAOYSA-N
ID: 72200
SMILES:C(C(C)=CCc1c(OC)cc(C)c(O)c1)=CCC1(C)CCC(C)=CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -17.04
InChIKey:QFJNJCOAXVDUIJ-UHFFFAOYSA-N
ID: 72201
SMILES:C1(C)CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C23OC(c2c(O)ccc(C)c21)C3OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.537
CB1 binding score: -15.257
InChIKey:ZYEDSXALZYYTBZ-UHFFFAOYSA-N
ID: 72202
SMILES:CC(O)(C)C1Oc2cc(CCCCC)cc(O)c2C2CC(C)=CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.556
InChIKey:PTWZYAYUQGAAHU-UHFFFAOYSA-N
ID: 72203
SMILES:O(C)c1cc(CCc2c(CCCCC)cc(O)c(CC=C(C)CCC=C(C)C)c2O)ccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.662
CB1 binding score: -16.551
InChIKey:VOBIOPPZKQWDKY-UHFFFAOYSA-N
ID: 72204
SMILES:C12C(C)(C)Oc3c(c(O)c(C)c(OC)c3)C1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.295
CB1 binding score: -15.617
InChIKey:AGQWJAOZSFWMEG-UHFFFAOYSA-N
ID: 72205
SMILES:C1(C)(C)Oc2cc(CO)cc(O)c2C2C(C(O)(C)C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -14.051
InChIKey:VCVSSSGFZMZETE-UHFFFAOYSA-N
ID: 72206
SMILES:c1cc(C2C(C(=C)C)CCC(C)=C2)c(OC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -18.382
InChIKey:PIWOIVDTYQHIGV-UHFFFAOYSA-N
ID: 72207
SMILES:C1CC(C(C)C)C(c2c(O)cc(CCCCC)cc2)CC1(O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -15.67
InChIKey:UMGXLLSOZCKVNK-UHFFFAOYSA-N
ID: 72208
SMILES:CC(C(=C)C1(O)C(C(=O)O)C2(C3C(C)(CC2)Oc2c(c(O)cc(CCCCC)c2O3)CC=C(C)C)C(O)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 542.713
CB1 binding score: -13.297
InChIKey:HNLYKYMRIVCFLX-UHFFFAOYSA-N
ID: 72209
SMILES:O1c2cc(CCCCC)cc(O)c2C2C1(O)C1(C)C(O2)CC(=O)C(C)(C)C1C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.515
CB1 binding score: -14.818
InChIKey:MMCZXNMANWNWPK-UHFFFAOYSA-N
ID: 72210
SMILES:C1C(C)=CC(c2c(O)cccc2O)C(C(=C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.225
InChIKey:BEXSRXTVRHPHGL-UHFFFAOYSA-N
ID: 72211
SMILES:C1CC(O)(C)C2C(c3c(O)cc(CCCCC)cc31)C(=O)C(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.2
InChIKey:NOSOZTIPSZZGGO-UHFFFAOYSA-N
ID: 72212
SMILES:C(=C(C)CCC=C(CCC=C(C)C)C)Cc1c(O)cc(CCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 356.55
CB1 binding score: -18.934
InChIKey:LDZQKZLPWVBJOB-UHFFFAOYSA-N
ID: 72213
SMILES:c12cc(OCCC=C)c(CCCCC)cc1OC(C)(C)C1C2C=C(C=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.544
CB1 binding score: -15.906
InChIKey:SKJJTOPPRLESCB-UHFFFAOYSA-N
ID: 72214
SMILES:C1Oc2c(cc(CCCCC)cc2O)OC1C1OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -17.275
InChIKey:OIAHZIMDQMKNLP-UHFFFAOYSA-N
ID: 72215
SMILES:C(CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -16.079
InChIKey:JLTHJVACARSYMT-UHFFFAOYSA-N
ID: 72216
SMILES:c12c(cc(CCC(C)=C)cc1C)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.481
CB1 binding score: -14.961
InChIKey:IBLRXKRTOPMHOZ-UHFFFAOYSA-N
ID: 72217
SMILES:C(=O)(OC)C12C(c3c(cc(CCCCC)cc3O)O1)CC(C(=C)CO)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.298
InChIKey:RGLGVSVQNBRBGT-UHFFFAOYSA-N
ID: 72218
SMILES:C(c1c(C(=O)OCCCC)c(O)c(O)c2c1OC(C)(C)C1C2CC(C)CC1)CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.574
CB1 binding score: -14.801
InChIKey:WACGZXCEXHWJIG-UHFFFAOYSA-N
ID: 72219
SMILES:C1C2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C(O)C2=C1CC(C)(CO)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.559
CB1 binding score: -15.992
InChIKey:DZJVZESDRYZCFU-UHFFFAOYSA-N