ID: 53005
SMILES:c12c(cc(CCCCC)cc1O)oc1c(c2=O)C(C=C(C)C)C=C(C=C)C1C(CC1OC1(C)C)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.656
CB1 binding score: -13.18
InChIKey:NVOJTMAAZTZYNI-UHFFFAOYSA-N
ID: 53006
SMILES:COc1c(CCCCC)cc2c3c1OC(CCC1C(C)(C)O1)(CCC(C(C)=C)C3)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.667
CB1 binding score: -14.912
InChIKey:VXDBGOXIEYNYFK-UHFFFAOYSA-N
ID: 53007
SMILES:C(CCCC)c1cc(O)c2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -17.266
InChIKey:GEEMMNOKGSQDQI-UHFFFAOYSA-N
ID: 53008
SMILES:C12(C(O)C(O)C(CO)=CC1O)C(C)(C)Oc1cc(CCCCC)c(C(=O)O)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.475
CB1 binding score: -14.652
InChIKey:DHIODPYTNXHFQN-UHFFFAOYSA-N
ID: 53009
SMILES:c1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -19.225
InChIKey:BEXSRXTVRHPHGL-UHFFFAOYSA-N
ID: 53010
SMILES:CC(C)CC(OCc1ccc(OC(C(F)(F)F)=O)c2c1OC(C)(C)C1C2C(N=C)C(C)(O)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 499.526
CB1 binding score: -13.364
InChIKey:PXXXPECFBMLAKF-UHFFFAOYSA-N
ID: 53011
SMILES:C1(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 53012
SMILES:C(=C(C(=O)CC=C(C)C)C)Cc1c(O)cc(CCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.868
InChIKey:RTUGAKRHYRTHSK-UHFFFAOYSA-N
ID: 53013
SMILES:C12(c3c(cc(CCCCC)c(C(=O)O)c3O)OC1(CCC=C(C)C)C)C(C)(C)CCC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.613
CB1 binding score: -13.933
InChIKey:NXGZKUHUOJDPEN-UHFFFAOYSA-N
ID: 53014
SMILES:O=CC1=C(CCCCC)C(=O)C(C)=CC1CC1C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -17.741
InChIKey:LDRWEUKGMVQOOF-UHFFFAOYSA-N
ID: 53015
SMILES:c12c(cc(C(C)C(C)CCCC(C)C)cc1O)OCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -14.638
InChIKey:FSNHILIYGCPZHK-UHFFFAOYSA-N
ID: 53016
SMILES:O(C)C1=CC(=O)C2(c3c(cc(CCCCC)cc3O)OC2)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.37
CB1 binding score: -14.801
InChIKey:UVESMMSESHISFL-UHFFFAOYSA-N
ID: 53017
SMILES:CC1=CC(c2cc(O)ccc2)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.81
InChIKey:RLNFSWIFLYYPPU-UHFFFAOYSA-N
ID: 53018
SMILES:CC(C1CCC2(C)C1(c1c(OC)cc(CCCC)c(O)c1O)C(OC(=O)C)C(O)C(O)(C)C2)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 494.625
CB1 binding score: -15.956
InChIKey:CNUPHSQGXHLBQD-UHFFFAOYSA-N
ID: 53019
SMILES:CC(C1C(c2c(O)cc(CCCCC)cc2O)CC(C)=CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.27
InChIKey:WPJGAEFIBVPIDI-UHFFFAOYSA-N
ID: 53020
SMILES:c1(SCCCc2ccccc2)cc(C)c2c(c1)OC(C)(CCC=C(C)CCC=C(C)C)C(OC)c1cc(O)cc(C)c12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 584.866
CB1 binding score: -15.463
InChIKey:GFUZRKBRNFJWNH-UHFFFAOYSA-N
ID: 53021
SMILES:CC1(C)C2C(C)(CCC1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.783
InChIKey:KPTGTVLDBMVBEX-UHFFFAOYSA-N
ID: 53022
SMILES:c12c(cc(CC)cc1O)OC(C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 222.284
CB1 binding score: -17.334
InChIKey:ATDZGQIIAQHUDK-UHFFFAOYSA-N
ID: 53023
SMILES:C(C(C)C)CCc1cc2c(c(O)c1C)-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -12.127
InChIKey:JESMYMYHIIKKKL-UHFFFAOYSA-N
ID: 53024
SMILES:C1(C=O)=CC2C(C(C)(C)Oc3cc(CCC)cc(O)c32)CC2C1CCC2(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.516
CB1 binding score: -14.091
InChIKey:IFWCAIOSZAFYQO-UHFFFAOYSA-N
ID: 53025
SMILES:C1(C)=CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Miscellaneous meroterpenoids
MW: 326.48
CB1 binding score: -14.913
InChIKey:FXRLOCKXXYIFOP-UHFFFAOYSA-N