ID: 123523
SMILES:O=C1c2c(O)cc(CCCCC)cc2OC(C)(C)C1CCC(=CCCC(=CCN1CCSSC=C1C(=O)OC)C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 601.875
CB1 binding score: -14.339
InChIKey:ITYPJKMHCPAJED-UHFFFAOYSA-N
ID: 123524
SMILES:C1(C)=CC2Oc3c(cc(CCCCC)cc3O)OC2(C)CC1=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -15.929
InChIKey:BOFDMJFOGAKWEO-UHFFFAOYSA-N
ID: 123525
SMILES:Oc1c2c(c(O)cc1CCCCC)OC(C)(C)c1c-2cc(C)c2c1C(=O)C(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.511
CB1 binding score: -15.929
InChIKey:TUUQLROWANSXJS-UHFFFAOYSA-N
ID: 123526
SMILES:CC1=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: 123527
SMILES:C1=C(C)CCC=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.032
InChIKey:NJSZRBFBYZMAGU-UHFFFAOYSA-N
ID: 123528
SMILES:c1(O)c(CC=C(C)CCC=C(C)C)c(O)c2c(c1)OC(C)(C)C1CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -13.756
InChIKey:HWPKWFSYILZWIM-UHFFFAOYSA-N
ID: 123529
SMILES:CC1(C)OC(C=C(CCC=C(C)C)C)c2c1c(O)cc(CCCCC)c2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -17.72
InChIKey:UCYPUFKUAATSCO-UHFFFAOYSA-N
ID: 123530
SMILES:CC1(C)C2(CC=C(C)CC2)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -18.228
InChIKey:XQYSGOVDVJLJAU-UHFFFAOYSA-N
ID: 123531
SMILES:c1(O)cc(CCC)cc2c1C1C=C(C)CCC1C(C)(O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.873
InChIKey:JALOAZWJDZXFQR-UHFFFAOYSA-N
ID: 123532
SMILES:C(CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)CCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -18.334
InChIKey:BKUUXHSLBMOYBZ-UHFFFAOYSA-N
ID: 123533
SMILES:CC(=CCC1OC(c2ccc(CCCCCCCCC)cc2O)C=C(C)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -13.483
InChIKey:JEOQZAVWCQHSOY-UHFFFAOYSA-N
ID: 123534
SMILES:O=C1c2c(O)cc(CCCCC)cc2OC1(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.322
CB1 binding score: -19.037
InChIKey:WOUJHLUSTPDGBC-UHFFFAOYSA-N
ID: 123535
SMILES:c1c(C(OC(=O)c2c(C)cc(OC(=O)C)cc2CCCC)=O)ccc2c1OC(C)(C)c1ccc(C)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 500.591
CB1 binding score: -13.691
InChIKey:QEZFXLJVPDOQGE-UHFFFAOYSA-N
ID: 123536
SMILES:O1C(C)(C)C(O)C1CCC(C)=CCCC1(C)Oc2c(C)cc(OC)cc2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.438
InChIKey:YIHQWYRLKPPPKR-UHFFFAOYSA-N
ID: 123537
SMILES:CC1=CC2C(C(C)(C)Oc3cc(C)c(O)cc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -19.623
InChIKey:MUNXTPXTGBOZLU-UHFFFAOYSA-N
ID: 123538
SMILES:C(Cc1cc(O)c2c(c1)OC(C(C)(C)O)CC2)CCCCCC1(O)CCCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 418.618
CB1 binding score: -11.791
InChIKey:NZNJHUNUVGXUMS-UHFFFAOYSA-N
ID: 123539
SMILES:C12(C(=O)CC(C)(C)C1)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.523
InChIKey:KRMJBPPLCZCKNM-UHFFFAOYSA-N
ID: 123540
SMILES:C(=Cc1cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1)CCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.589
CB1 binding score: -14.898
InChIKey:IAEQWEFMIGSTKV-UHFFFAOYSA-N
ID: 123541
SMILES:C(=C)C(CC1C(C(=C)C)C(c2c(O)c(C=O)c(O)c(CCC)c2)CC(C)=C1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.528
CB1 binding score: -14.428
InChIKey:KKQXLRYQALFZNA-UHFFFAOYSA-N
ID: 123542
SMILES:C(c1c(O)c2c(cc1)OC(C)(C)C1C2C=C(C)CC1)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -16.072
InChIKey:MPJYHNXONXAVRL-UHFFFAOYSA-N
ID: 123543
SMILES:Oc1cc2c(cc1C(C)C)C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.792
InChIKey:XJNQCCLSLVYFNV-UHFFFAOYSA-N