ID: 33328
SMILES:Cc1c(CCCCC)cc2c(c1O)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.218
InChIKey:CNCURDLLOPZUIO-UHFFFAOYSA-N
ID: 33329
SMILES:c1c(CCCC)cc(O)c(CC=C(CCC=C(C)C)C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -20.03
InChIKey:LXMICYYYVWWGAM-UHFFFAOYSA-N
ID: 33330
SMILES:C1C(O)C(C)(C)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N
ID: 33331
SMILES:C1=C(C)CCC(C(=C)C)C1c1c(O)cc(CC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -18.786
InChIKey:YURJBXYTSFIOOT-UHFFFAOYSA-N
ID: 33332
SMILES:C(=CCCC(=CCc1cc(O)cc(C2C(C(C)=C)CCC(C)=C2)c1O)C)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -11.622
InChIKey:DGWMWHJIPWWXCQ-UHFFFAOYSA-N
ID: 33333
SMILES:c1c(O)c2c(c(CCCCC)c1)OC(C)(C)C1C(C=C(CO)C(O)C1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -14.466
InChIKey:NVKRRHROTQFPDB-UHFFFAOYSA-N
ID: 33334
SMILES:c1(CCCCC)c2c(c(OC)cc1O)CC1C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.611
InChIKey:WRNRNLJKAHKPEW-UHFFFAOYSA-N
ID: 33335
SMILES:C1C(C(=C)C)C(c2cc(CCN(C)C)ccc2O)C(=O)C(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 315.457
CB1 binding score: -14.998
InChIKey:QQYUPFJPNRAVBJ-UHFFFAOYSA-N
ID: 33336
SMILES:CC1(C(=O)O)CC2c3c(O)cc(CCCCC)cc3OC3(C(C)CCC4C(C)(C)C4C13)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -12.285
InChIKey:MFNJBQDUWSUULQ-UHFFFAOYSA-N
ID: 33337
SMILES:C1(=C(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -16.887
InChIKey:BTJQTGCWAMGCJY-UHFFFAOYSA-N
ID: 33338
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 33339
SMILES:C(CCCCCCCC)CCCCCCCCC(OCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.83
CB1 binding score: -15.116
InChIKey:FOJNBLQJOFJDFJ-UHFFFAOYSA-N
ID: 33340
SMILES:c12c(c(OC)c(CCCC)cc1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.487
InChIKey:AKPNTOOWICETLV-UHFFFAOYSA-N
ID: 33341
SMILES:C(Cc1cc(O)c2c(c1O)OC(C)(C)C1CC=C(C)CC12)CC(C)(C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.137
InChIKey:MTSBRMMYNLOWMM-UHFFFAOYSA-N
ID: 33342
SMILES:CC(=CCCC(=CCc1c(O)c(C(O)=O)c(CCCCC)cc1O)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 33343
SMILES:c12c(c(C(CC(C)C)=O)c(O)cc1O)OC(C)(C)C1CCC(C)(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.439
CB1 binding score: -16.384
InChIKey:BJOZKCNFMHNGJM-UHFFFAOYSA-N
ID: 33344
SMILES:C1(O)C(=O)C(C)=CC2C1c1c(OC)cc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.397
CB1 binding score: -13.872
InChIKey:MKBXDIAUONWHDA-UHFFFAOYSA-N
ID: 33345
SMILES:O1c2cc(CCCCC)c(C(=O)OCCCC)c(O)c2C2C3C(C)(C)CCC13C(C)CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 456.623
CB1 binding score: -14.435
InChIKey:NZYYZBGRAWMFTR-UHFFFAOYSA-N
ID: 33346
SMILES:COC(c1cc(O)c2c(c1OC)OC(CCC1C(C)(C)O1)(C)CC2)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 364.482
CB1 binding score: -15.717
InChIKey:QAMDYIPAJZIXCD-UHFFFAOYSA-N
ID: 33347
SMILES:C(Oc1ccccc1CC(=O)OCC1=CC2C(CC1)C(C)(C)Oc1c2c(O)ccc1C)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.575
CB1 binding score: -13.964
InChIKey:FNLYWGGIAPTYKE-UHFFFAOYSA-N
ID: 33348
SMILES:C(Cc1c(O)cc(C)c2c1OC(C)(CCC1=C(C)CCC(O)C1(C)C)C2)c1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.62
CB1 binding score: Not available
InChIKey:JKIIMKZWUZHZLL-UHFFFAOYSA-N