ID: 123397
SMILES:C(C=C(C)C)CC(=CCc1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.666
InChIKey:QXACEHWTBCFNSA-UHFFFAOYSA-N
ID: 123398
SMILES:C(C)(C)C1C(O)C(=O)C(C)=CC1c1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.163
InChIKey:UPFLBPQWHHDSNE-UHFFFAOYSA-N
ID: 123399
SMILES:C1CC(C)=CC2c3c(cc(CCCCC)cc3OC2(C)C)CC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.589
CB1 binding score: -12.149
InChIKey:WZTPRSPDNLKWFZ-UHFFFAOYSA-N
ID: 123400
SMILES:c12c(C)ccc(O)c1C1CC(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.377
CB1 binding score: -16.249
InChIKey:QDYGIYBFFFIPLI-UHFFFAOYSA-N
ID: 123401
SMILES:O=C1C(C)=CC2c3c(O)cc(CCC)cc3OC2(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -16.202
InChIKey:AVJLXWPINSTPJX-UHFFFAOYSA-N
ID: 123402
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(COC)(C=C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.047
InChIKey:FVYVYTSHYSGGEQ-UHFFFAOYSA-N
ID: 123403
SMILES:c1c(O)c2c(cc1C)OC(CCC(C)=O)(C)C(C=C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -18.957
InChIKey:LJAPWRBYDSQABJ-UHFFFAOYSA-N
ID: 123404
SMILES:c1(C)cc(O)c2c(c1)OC1(C(=O)C2)CC(C(=C)C)C(OC(C)=O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -16.298
InChIKey:XRBGWCFYWRFAEG-UHFFFAOYSA-N
ID: 123405
SMILES:c1c(CCCCC)c(C(=O)O)cc2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.502
InChIKey:ICDTZMYQSPZBFB-UHFFFAOYSA-N
ID: 123406
SMILES:C12C=C(C)CC1c1c(c(CC=C(C)C)c(O)cc1)OC(C)(C)C2C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.929
InChIKey:INFZYJVDMHOIFP-UHFFFAOYSA-N
ID: 123407
SMILES:O=C(c1c(O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)OC1C(O)C(O)C(OC)C(C)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.511
CB1 binding score: -15.596
InChIKey:LFWVIOXYQJQNNS-UHFFFAOYSA-N
ID: 123408
SMILES:C1C(C(C)=C)C(CC(CCC=C(Cc2ccccc2)CO)C)C(C)C12Oc1c(c(OC)cc(CCCCC)c1)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 558.803
CB1 binding score: -11.03
InChIKey:XGHJCYGFPBGUGA-UHFFFAOYSA-N
ID: 123409
SMILES:c1(O)c(C(=O)OCC(C)CC)ccc(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.644
InChIKey:UVFFVPRTPLKLBS-UHFFFAOYSA-N
ID: 123410
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 123411
SMILES:CC1CC2C(C)(C)C2C2C13Oc1cc(CCCCC)cc(OC)c1C2C=C(C)C=C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.61
CB1 binding score: -15.929
InChIKey:MTBCKIDNFQYGDF-UHFFFAOYSA-N
ID: 123412
SMILES:CC1(C)C(=O)CC2Oc3cc(CCCCC)cc(O)c3C2C1CC1C=C(C)C(=O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.526
CB1 binding score: -14.762
InChIKey:SNXPWRZYSKOAAA-UHFFFAOYSA-N
ID: 123413
SMILES:CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 123414
SMILES:c12c(cc(CCCCC)cc1OC)CCC1C(C)(C)CCCC1(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -13.764
InChIKey:TXJSIAYPEMSAJZ-UHFFFAOYSA-N
ID: 123415
SMILES:c1(CC(C)C)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.315
InChIKey:WTRKRGRMUBVMKA-UHFFFAOYSA-N
ID: 123416
SMILES:c1(O)cc(CCCCC)cc2c1C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 123417
SMILES:O(C(c1ccc2c(c1)OC(C)(C)C1C2CC(C)=CC1)CC(C)C)C(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: Not available
InChIKey:IRQDAYKRMIAUTL-UHFFFAOYSA-N