ID: 127639
SMILES:O(c1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)C1OC(CO)C(O)C(O)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -17.362
InChIKey:SAAFXEQPFHGQNP-UHFFFAOYSA-N
ID: 127640
SMILES:c1(CC=C(C)C)c2c(ccc1OC(=O)C)Cc1c(cc(CCCCC)cc1O)OC(C)(C)C2CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 518.738
CB1 binding score: -14.93
InChIKey:SVCXQTXEENXOBC-UHFFFAOYSA-N
ID: 127641
SMILES:c1c(C(=O)OC)ccc(O)c1C1C=C(C)CCC1C(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -18.003
InChIKey:VPSWYBOTFPOXLO-UHFFFAOYSA-N
ID: 127642
SMILES:c1(C)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C(C(CC)C)=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.511
InChIKey:XMOHQZQYYZFICR-UHFFFAOYSA-N
ID: 127643
SMILES:c1(C)ccc2c(c1)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.213
InChIKey:ABQUTLCPMMOSHA-UHFFFAOYSA-N
ID: 127644
SMILES:O=CC1CCOc2cc(CCCCC)cc(CC=C(C)C)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.182
InChIKey:AONGKKCALRYEGG-UHFFFAOYSA-N
ID: 127645
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(CCC(C(C)=C)O)C(C)C2)C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.908
InChIKey:DIRPSLPBDHTEAE-UHFFFAOYSA-N
ID: 127646
SMILES:CC1=CC(c2cc(CCC(C=C(C(=O)O)C)(C)C=C)cc(CC=C(C)C)c2O)C(C)(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.663
CB1 binding score: -15.427
InChIKey:OKJUVRMWJCVWGX-UHFFFAOYSA-N
ID: 127647
SMILES:C1CC(C(C)=CC(C2OC2(C)C)OC(=O)CCCCCCCCCCCCC)C2C(c3c(c(O)ccc3O)C2)C1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 568.795
CB1 binding score: -15.412
InChIKey:HEDKLNZINYVNDX-UHFFFAOYSA-N
ID: 127648
SMILES:O(c1cc(CCCCC)cc2c1C1C(CC=C(C)Cc3occ(C)c3C(=O)C1CC)C(C)=C2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 460.658
CB1 binding score: -14.927
InChIKey:KONONLXXURXBBB-UHFFFAOYSA-N
ID: 127649
SMILES:CC1(C)C2C(CC(C)=CC2)c2cc(C(=O)O)c(C)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -16.502
InChIKey:CLNIEHJADQJOJT-UHFFFAOYSA-N
ID: 127650
SMILES:CCCc1cc(O)c(C2C=C(CO)CCC2C(CCC=C(C)C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -16.225
InChIKey:VKSLHCCPVWIHML-UHFFFAOYSA-N
ID: 127651
SMILES:c1(O)cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -18.561
InChIKey:RRHAEGQFRQNVHT-UHFFFAOYSA-N
ID: 127652
SMILES:C=Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.372
CB1 binding score: -18.09
InChIKey:MOGXJOHEBSGEPO-UHFFFAOYSA-N
ID: 127653
SMILES:c1(C)c(C2C=C(C)CCC2C(C)=C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.497
CB1 binding score: -16.789
InChIKey:NUKHFQFTDCRHSF-UHFFFAOYSA-N
ID: 127654
SMILES:Oc1c(C2C(C(C)=C)CCC(C)=C2)c(CC=C(C)C)c(OC)c(Br)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 405.376
CB1 binding score: -15.578
InChIKey:RGFZKRWWZBCXDS-UHFFFAOYSA-N
ID: 127655
SMILES:C1(CC=C(C)C)c2c(cc(C(C)(C)C)cc2O)OC(C(=O)OC)(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -14.324
InChIKey:BPFTXVUTPWNOIA-UHFFFAOYSA-N
ID: 127656
SMILES:CC(C1CCC(C)CC1c1c(O)cc(CCC)cc1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.447
CB1 binding score: -19.319
InChIKey:VNFNICPIQJPBJY-UHFFFAOYSA-N
ID: 127657
SMILES:C(C(C)=CCCCC)c1cc(O)c(CC2C(C)=CCC(C(C)=C)C2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -16.533
InChIKey:MNACJZWGCXEGRR-UHFFFAOYSA-N
ID: 127658
SMILES:COc1cc(C)c(OC)c(OC)c1C1C(C(C)=C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.502
InChIKey:RQPNRFOOLTVIBJ-UHFFFAOYSA-N
ID: 127659
SMILES:C1c2c(cc(CCCCC)cc2O)OC1(CCC=C(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.758
InChIKey:BBSLEQVLKFGGIE-UHFFFAOYSA-N