ID: 20476
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)c1c-2cc(C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 20477
SMILES:c12cc(CCCCC)cc(O)c1OC(C)(C)C1C2CC(C)(O)C(Cl)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 366.929
CB1 binding score: -13.249
InChIKey:DSPYPABAJIWOHZ-UHFFFAOYSA-N
ID: 20478
SMILES:C12=C(C(=O)C3(O)C(C(C)CC(O)C(C)=C3C)c3c1cc(CCCCC)cc3O)OC(C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.607
CB1 binding score: -13.655
InChIKey:PZYAIRFMLXPHBR-UHFFFAOYSA-N
ID: 20479
SMILES:C1(=O)OC(c2cc(OC)cc(CCCCC)c2)C=C2CCC(C(C)=C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -16.388
InChIKey:HAJJPGPGFSYWDZ-UHFFFAOYSA-N
ID: 20480
SMILES:C1CC=C(C)CC2c3c(O)cc(C(C)C)cc3OC2(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -15.434
InChIKey:JYUNRYIHUBUCHX-UHFFFAOYSA-N
ID: 20481
SMILES:CCC(O)(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -16.256
InChIKey:PTPLXSVKAWEVSH-UHFFFAOYSA-N
ID: 20482
SMILES:c12c(c(CCC)cc(O)c1)OC(C)(C)c1c-2cc(C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.383
CB1 binding score: -14.892
InChIKey:QOQYACFQIMRKRY-UHFFFAOYSA-N
ID: 20483
SMILES:CCCCCCCCCCCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -16.403
InChIKey:BBZHBQHQQUIFQU-UHFFFAOYSA-N
ID: 20484
SMILES:c1c(O)ccc2c1OC(CCC=C(C)C)(C)C1CCC(C)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.763
InChIKey:KTIOUNQBYYDWKL-UHFFFAOYSA-N
ID: 20485
SMILES:OCC12C3(Oc4c(C(O)=O)c(CCCCC)cc(O)c43)C(C)CC(C1C)OC2CC(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.568
CB1 binding score: -12.624
InChIKey:OVNLNUPTWCNSDS-UHFFFAOYSA-N
ID: 20486
SMILES:C(CC)COCC1=C(c2cc(C)cc(O)c2)C(=O)C2=C1C1C(C(C)(C)O2)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.483
CB1 binding score: -15.908
InChIKey:RTIJSKQUXICCTF-UHFFFAOYSA-N
ID: 20487
SMILES:C1(CC=C(C)C)Oc2c(c(O)cc(CCC)c2)C2=C(CC(C)(C)CC2)C1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 424.669
CB1 binding score: -15.304
InChIKey:AAVSKEZMXROBHW-UHFFFAOYSA-N
ID: 20488
SMILES:C(c1c(O)cc(CCCCC)c(O)c1)C1(C)OC(C(=CCCC(C)(C)O)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.591
CB1 binding score: -15.67
InChIKey:FELCTDRGTQBKMT-UHFFFAOYSA-N
ID: 20489
SMILES:CC(C)C1C2(C)C3C(CC2)(C(CO)O3)c2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: Not available
InChIKey:ZBKFGPLALHXMHD-UHFFFAOYSA-N
ID: 20490
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 20491
SMILES:C(CCCc1cc(O)c2c(c1O)OC(C)(C)C(O)CCC2C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.445
CB1 binding score: -13.169
InChIKey:SOBHPALNVOGWHI-UHFFFAOYSA-N
ID: 20492
SMILES:C1CC(C)=CC2OC1C(C)(C)Oc1c(c(OC)cc(CCCCCC)c1)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -14.578
InChIKey:XWDYUXMQIKDGDC-UHFFFAOYSA-N
ID: 20493
SMILES:c12c(c(CCCC)cc(O)c1)OC(C=CC=C(C)CCC=C(C)C)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -14.651
InChIKey:HURCHFLPSKCEOX-UHFFFAOYSA-N
ID: 20494
SMILES:c1(CCCCC)cc(OC)c2c3c1OC(C)(C)C1C3C(C(O)(C)CC2)CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.022
InChIKey:LKOBQPTZYNBMFZ-UHFFFAOYSA-N
ID: 20495
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 20496
SMILES:c12c(O)cc(CCCCC)cc1OC1(C)C(O2)CC2C(C)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -12.586
InChIKey:YPUHXCOQKVUVGH-UHFFFAOYSA-N