ID: 99520
SMILES:O(C(c1ccc2c(c1)OC(C)(C)C1CC=C(C)CC12)=O)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -15.68
InChIKey:AVPJAJYLEBYBJG-UHFFFAOYSA-N
ID: 99521
SMILES:O=C1C(O)C(CO)OC(Oc2c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -14.929
InChIKey:NPNOVFCAQBGZLM-UHFFFAOYSA-N
ID: 99522
SMILES:C(CCCC)CCCc1cc2c(c(O)c1C(=O)CC(C)C)C=CC(C)(CCC=C(C)C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -15.467
InChIKey:JNZTXDVVRRFARY-UHFFFAOYSA-N
ID: 99523
SMILES:Oc1c2c(c(CCCCC)cc1O)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.659
InChIKey:MDYPCTNJUOVYAS-UHFFFAOYSA-N
ID: 99524
SMILES:c1(O)c(C(C(C)CC)O)c(OCC=C(CC(=O)C=C(C)C)C)cc(O)c1C1C(C(C)(C)O)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 514.703
CB1 binding score: -14.609
InChIKey:HTCFZBQGASHSRN-UHFFFAOYSA-N
ID: 99525
SMILES:C1(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -19.351
InChIKey:UCONUSSAWGCZMV-UHFFFAOYSA-N
ID: 99526
SMILES:c12c(cc(C)c(OCCCCC)c1)OC(C)(C)C=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -12.028
InChIKey:ZHMZSJIQKQHSHE-UHFFFAOYSA-N
ID: 99527
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC(O)C(CO)(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -15.531
InChIKey:KVZYDZFZSQDLFD-UHFFFAOYSA-N
ID: 99528
SMILES:C1(C)(CCC(=CCC2C(=O)c3c(c(C(O)=O)c(CCCCC)cc3O)O)CC(CC=C(C)C)C2(C)C)CC=C(C)CC1c1cc(O)ccc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 686.93
CB1 binding score: -16.502
InChIKey:GPFKICMMJHSOCT-UHFFFAOYSA-N
ID: 99529
SMILES:C1(O)CCC(C)C2C1=C(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.172
InChIKey:WDNVPEBEIVHZBF-UHFFFAOYSA-N
ID: 99530
SMILES:CC(C)=CCCC(=CCc1cc(O)cc2c1OC(C)(C)C1CCC(CO)(C)OC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -11.338
InChIKey:UMMGHPVKINBVFG-UHFFFAOYSA-N
ID: 99531
SMILES:C1(Br)CC=C(C)CC1c1c(O)cc(CCCCC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 337.301
CB1 binding score: -12.209
InChIKey:NXLFKBFDTWPQIG-UHFFFAOYSA-N
ID: 99532
SMILES:C1(C)=CC2C(C(C)(C)Oc3c2c(OC)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 99533
SMILES:Oc1c(C2C(C(C)=C)CC=C(C)C2)cc(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -16.995
InChIKey:ZYYNMOWUSGNNCS-UHFFFAOYSA-N
ID: 99534
SMILES:C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 99535
SMILES:C(CC(=O)Oc1c2c(oc(=O)c1C)C1C=C(C)CCC1C(C)(C)O2)CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.531
CB1 binding score: -13.903
InChIKey:GCEFRMGJXWCRTH-UHFFFAOYSA-N
ID: 99536
SMILES:C12C(CC=C(C)C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 99537
SMILES:C(CC(OC)=O)(C)C1=C(CO)C2C(C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -16.853
InChIKey:HMJKFOCZFFQSHW-UHFFFAOYSA-N
ID: 99538
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1(O)C(O)C=C(C)CCC1(C)C2)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -16.245
InChIKey:ZJRAODRROVOZTF-UHFFFAOYSA-N
ID: 99539
SMILES:Cc1cc(O)c2c(c1C(C)C)OC(C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.674
InChIKey:TWHYQNNLQWAYKS-UHFFFAOYSA-N
ID: 99540
SMILES:C(=C(C)C)CCC(=CCc1c(O)cc(O)c2c1OC(c1c(CCCCC)cc(O)cc1O)C2C(O)(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.698
CB1 binding score: -12.59
InChIKey:NZUAMMZRNYUZLN-UHFFFAOYSA-N