ID: 16066
SMILES:C1(C)CCC(C(C)=C)C(c2c(O)c(OC(=O)C)c(O)c(CCCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.477
InChIKey:ATBYRXBCFWLSSL-UHFFFAOYSA-N
ID: 16067
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(=O)C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -18.083
InChIKey:AYMRREFEEFYHLH-UHFFFAOYSA-N
ID: 16068
SMILES:C(C)(=CCCC1(C)Oc2c(c(O)cc(CCC)c2)C=C1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.334
InChIKey:AAXZFUQLLRMVOG-UHFFFAOYSA-N
ID: 16069
SMILES:C(C=Cc1c(OC)cc(O)c2c1OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -17.691
InChIKey:VKOJFBZIXKEJCL-UHFFFAOYSA-N
ID: 16070
SMILES:O(C(C)=O)Cc1cc2c(c(O)c1)C1c3c(cc(CCCCC)cc3O)OC(C)(C)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.564
CB1 binding score: -13.63
InChIKey:UZJPKBZUDRGFIJ-UHFFFAOYSA-N
ID: 16071
SMILES:OC12C(C(C(=C)C)CC1)c1c(O)cc(CCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -11.8
InChIKey:IOWSEYPBABATMD-UHFFFAOYSA-N
ID: 16072
SMILES:C(CCCCCCCC=C)(OCCc1c(C)c2c(cc1C)C1C(CCC(C)=C1)C(C)(C)O2)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -17.35
InChIKey:VFGDGRMCVWEFJQ-UHFFFAOYSA-N
ID: 16073
SMILES:Oc1c2c(cc(CCCC(=O)C)c1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.42
CB1 binding score: -18.321
InChIKey:VHPCPGQDLMJXOP-UHFFFAOYSA-N
ID: 16074
SMILES:c1(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 384.604
CB1 binding score: -20.123
InChIKey:WYEFRBILENQYOH-UHFFFAOYSA-N
ID: 16075
SMILES:c12c3c(c(CCCCC)cc1O)OC(C)(C)C1CCC(C)(O)C3C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -13.457
InChIKey:KXGNEGKYWCORNX-UHFFFAOYSA-N
ID: 16076
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2CCC(=C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.916
InChIKey:NAHGREVAAPAPEQ-UHFFFAOYSA-N
ID: 16077
SMILES:C(CC1C(C)(C)Oc2c1ccc(O)c2)=C(C)CCC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.994
InChIKey:HTZFPUHUPFFPCM-UHFFFAOYSA-N
ID: 16078
SMILES:C12=CC(c3c(O)cc(CCCC)cc3O)(C1C(OC)(C)C)OC(=O)C(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -14.2
InChIKey:PRSGRQOMYSYDDS-UHFFFAOYSA-N
ID: 16079
SMILES:C12C(C(C)C)=CCC(C)(C1)Oc1c2c(O)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -16.778
InChIKey:CKFKXPUZEIEQJR-UHFFFAOYSA-N
ID: 16080
SMILES:CC1=CCCC2(C)Oc3c(c(O)c(C(O)=O)c(CCCCC)c3)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.174
InChIKey:TZNCZVYPCHBMBK-UHFFFAOYSA-N
ID: 16081
SMILES:C(Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.655
InChIKey:SZHRAJIVTRNORX-UHFFFAOYSA-N
ID: 16082
SMILES:C(C(C)=CC)c1c2oc(O)cc2cc2c1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -14.049
InChIKey:DZCNSHUHHWHTIM-UHFFFAOYSA-N
ID: 16083
SMILES:C1(c2c(O)cc(CCCCCO)cc2)CC(C)=CCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.941
InChIKey:HYZKYEQGZMFOCF-UHFFFAOYSA-N
ID: 16084
SMILES:C1C2(COc3cc(CCCCC)ccc32)C2(O)OC(C1=O)C(C(C)=C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -13.813
InChIKey:UNHMYYVHDHAXJV-UHFFFAOYSA-N
ID: 16085
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)C)CCC(C)(O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.64
InChIKey:HIMFNKBTRODRPF-UHFFFAOYSA-N
ID: 16086
SMILES:O1c2c(c3c(c(O)c2)CCN(CCCCC)C3=O)CC2C(C)(C)C1(C)CC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 385.504
CB1 binding score: -14.545
InChIKey:UTRCBIKXUTWCPR-UHFFFAOYSA-N