ID: 84400
SMILES:C(CCCC)c1cc(O)c(C2C=C(C(O)=O)CCC2C(O)(C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.542
InChIKey:VIVRUBXONIANJA-UHFFFAOYSA-N
ID: 84401
SMILES:Oc1c2c(cc(CCCCCC)c1)OC(C)(C)C1C2CC(C)(O)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -16.422
InChIKey:ONEUKPJXXAERDP-UHFFFAOYSA-N
ID: 84402
SMILES:O=C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -18.674
InChIKey:FPTJZRPHZMUVEY-UHFFFAOYSA-N
ID: 84403
SMILES:C(=Nc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 299.414
CB1 binding score: -16.078
InChIKey:DCJGIVWBCZJHAG-UHFFFAOYSA-N
ID: 84404
SMILES:CC1=CC(c2c(O)cc(CC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.786
InChIKey:YURJBXYTSFIOOT-UHFFFAOYSA-N
ID: 84405
SMILES:C1(=O)OC2CC13C(C2)c1c(cc(CCCCC)cc1OC)CC(C)(C)O3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -11.247
InChIKey:WHYUKYIUCDJLLQ-UHFFFAOYSA-N
ID: 84406
SMILES:c1(O)cc(CCCCC)c(O)c2c1C1=C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -12.295
InChIKey:LLOVOTCIFFVWSO-UHFFFAOYSA-N
ID: 84407
SMILES:C1C2C(c3c(cc(CCCCC)cc3O)OC2(C)C)C=C(C)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 84408
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C(=O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -18.771
InChIKey:VGSHJKOXKGYENI-UHFFFAOYSA-N
ID: 84409
SMILES:CC1(C)C2CC3(c4c(cc(C)cc4O)O1)OOC23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 248.278
CB1 binding score: -17.784
InChIKey:JEBFTHMEXKUQHM-UHFFFAOYSA-N
ID: 84410
SMILES:C1=C(C)C(=O)CC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 84411
SMILES:c1(CO)cc(O)c2c3c1OC(C)(C)C1C3C(CC=C(C)C1)C(O)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -15.374
InChIKey:OCZIWMSKFCCEAV-UHFFFAOYSA-N
ID: 84412
SMILES:c12c(cc(C(=O)O)cc1CCCCC)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.175
InChIKey:YXTNOFAZWYTXFO-UHFFFAOYSA-N
ID: 84413
SMILES:c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 84414
SMILES:c1(CCCCC)c2c(oc1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -15.434
InChIKey:UTEQYWFHZMWXIU-UHFFFAOYSA-N
ID: 84415
SMILES:c1(-c2c3c(c(O)cc2C)CC(C(O)(C)C)O3)cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.575
CB1 binding score: -12.001
InChIKey:XBXVSTLUVQERMI-UHFFFAOYSA-N
ID: 84416
SMILES:c1(CCc2cc(O)c(C3C(CC=C(CCC=C(C)C)C)(C)CCC3)c(O)c2)ccc(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -14.273
InChIKey:RJAXEYBLAWEWPL-UHFFFAOYSA-N
ID: 84417
SMILES:CN(C)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 315.457
CB1 binding score: -18.782
InChIKey:HDWKJFFQKIYFHW-UHFFFAOYSA-N
ID: 84418
SMILES:c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 84419
SMILES:O1C2c3c(cc(CCCCC)c(C(=O)O)c(=O)c31)OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.342
CB1 binding score: -14.518
InChIKey:JZNBHXCMNUKBHR-UHFFFAOYSA-N
ID: 84420
SMILES:C(C)(C1=C(c2cc(CCCCC)cc(O)c2O)C=C(C)CC1)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.606
InChIKey:CXSIDXPZDQWNPN-UHFFFAOYSA-N