ID: 28015
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C(O)(C)CCC=C(C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.732
InChIKey:KEABNGNNOKLMEH-UHFFFAOYSA-N
ID: 28016
SMILES:C1(O)C(C)(C)Oc2c(c3c(c(CCCCC)c2)OCO3)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -17.527
InChIKey:KNLGYMJEAJQPFL-UHFFFAOYSA-N
ID: 28017
SMILES:c12cc(CCCCC)cc(O)c1C1C(CC=C(C)C2)OC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -11.818
InChIKey:OZWYZNGPZUKSPG-UHFFFAOYSA-N
ID: 28018
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(CO)=CC2)CC(C(C)C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.163
InChIKey:NPTNEOHFXFFIAJ-UHFFFAOYSA-N
ID: 28019
SMILES:C1(C)=CC(c2c(O)cc(CC)c(C=O)c2O)C(C(CCC=C(C)C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -16.094
InChIKey:CYJKOCQBWIRMSW-UHFFFAOYSA-N
ID: 28020
SMILES:Cc1ccc2c(c1)-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 28021
SMILES:C(COC)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C(CC(C)=CC1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.548
CB1 binding score: -15.535
InChIKey:JQSHSHCWSXNQHT-UHFFFAOYSA-N
ID: 28022
SMILES:CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC1(C)OC1CCC1(C)OC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.676
InChIKey:MVRFPLHYLPIEKA-UHFFFAOYSA-N
ID: 28023
SMILES:c12c(ccc(CCC(O)C(=C)C)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.417
InChIKey:VHPKAMOOPAIJGM-UHFFFAOYSA-N
ID: 28024
SMILES:C12C(=CC(=O)C(O)C1(C)C)c1c(cc(CCCCC)cc1O)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -13.941
InChIKey:HQHFXPBXSBGVQN-UHFFFAOYSA-N
ID: 28025
SMILES:c1c(O)cc(O)c2c1C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -17.624
InChIKey:ZZWZWPVQXHMOQM-UHFFFAOYSA-N
ID: 28026
SMILES:C1C(C(C(O)C(O)C=C(C)C)C)c2c(c(OC)cc(CCCCC)c2)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.592
CB1 binding score: -12.8
InChIKey:FLRJUQWKRMFPSI-UHFFFAOYSA-N
ID: 28027
SMILES:C(c1cc(C2CC=C(CCC=C(C)C)CC2)c(O)c(O)c1)CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -16.161
InChIKey:AFQVUWATVXAXGN-UHFFFAOYSA-N
ID: 28028
SMILES:c1(O)cc(Cl)c(CC=C(CCC=C(C)C)C)c(O)c1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.93
CB1 binding score: -15.889
InChIKey:MFBGDVQQNDFPAC-UHFFFAOYSA-N
ID: 28029
SMILES:c1c(CC=C)c(O)c(O)c2c1OC1(C)C(CCC(C)=CC2)C(C)(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -14.291
InChIKey:SWFJJUGRAIVHMD-UHFFFAOYSA-N
ID: 28030
SMILES:C1(C)CC2c3c(cc(CCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.792
InChIKey:UGRLMQVLYLFVDE-UHFFFAOYSA-N
ID: 28031
SMILES:c12c(c(CCCCC)cc(O)c1)OC(C)(CCC=C(C(OCC)=O)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.001
InChIKey:NSFUTAYPUMGYRX-UHFFFAOYSA-N
ID: 28032
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2C(O)C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -16.91
InChIKey:STBCQSYCFWEDAP-UHFFFAOYSA-N
ID: 28033
SMILES:CC(OC(C1OC(C)(C)OC1c1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1O)=O)=CCC=CCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 496.644
CB1 binding score: -14.486
InChIKey:AUTSAZQPKHLLFA-UHFFFAOYSA-N
ID: 28034
SMILES:CC(C)=CCCC(=CCc1c(O)cc(O)cc1CCCCC)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.891
InChIKey:JFJAMLJGMDJCRJ-UHFFFAOYSA-N
ID: 28035
SMILES:C(CC)Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.739
InChIKey:WBRXESQKGXYDOL-UHFFFAOYSA-N