ID: 400
SMILES:Cc1cc2c3c(cc(CO)c1COC1CC(C)CCC1C(C)(C)O3)C(O)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.558
CB1 binding score: -16.809
InChIKey:USGOCBZYROCUBR-UHFFFAOYSA-N
ID: 401
SMILES:C1CC2C(C1C)C(C)(C)Oc1c2c(O)c(Br)cc1C(=O)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 395.337
CB1 binding score: Not available
InChIKey:WXZMWLVRAWVDKI-UHFFFAOYSA-N
ID: 402
SMILES:c1(O)cc(CCCC)c(O)c(CC2=CCC3(C)C(C)(CCC4(O)C(C)(C)C(OC)=CC(OC(C)=O)C34)CC2=O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 554.724
CB1 binding score: -13.279
InChIKey:ZFURIHFJNXPLDL-UHFFFAOYSA-N
ID: 403
SMILES:C1(C(=CCCC(=CCc2c(O)c(C)cc(O)c2)C)C)C=C(C)CCC1C(=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -14.152
InChIKey:BVDJZMSRKOTRGF-UHFFFAOYSA-N
ID: 404
SMILES:C(C(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 405
SMILES:C(CCCC)c1cc(O)cc2c1CC(CCC=C(C)C)(C)OC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.041
InChIKey:SUWOMXHOQHHDDE-UHFFFAOYSA-N
ID: 406
SMILES:Oc1c(Cc2c(O)cc(CCCCC)cc2O)c(C=O)c(O)c(CC2C(C)=CCCC2(C)C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -14.879
InChIKey:LTKSWYIPFMSOST-UHFFFAOYSA-N
ID: 407
SMILES:c1(O)c(C2C(C(C)C)CCC(C)=C2)cc(O)c(CC=C(CCC=C(C)C)C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -18.739
InChIKey:WCPZLWHFVUEJDC-UHFFFAOYSA-N
ID: 408
SMILES:C(CO)Cc1cc(C2C=C(C)CCC2C(=C)C)c(OC)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.065
InChIKey:GBCQXJYILPNZKU-UHFFFAOYSA-N
ID: 409
SMILES:CC(=CC)C1C(C=C(C)C=O)Oc2c1c(O)cc(CCCCC)c2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -14.489
InChIKey:ZBRPZDPTYJXBJZ-UHFFFAOYSA-N
ID: 410
SMILES:O(c1cc2c(cc1)C1CC(C)=CCC1C(C)(C)O2)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.018
InChIKey:ZXQSSVRDYAUCLO-UHFFFAOYSA-N
ID: 411
SMILES:CC1=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 412
SMILES:C1(C)=CC2C(CC1)C(C)(CCC(O)C(C)(O)C)OC2=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.38
CB1 binding score: -16.611
InChIKey:LXNOZQPPZTZZOS-UHFFFAOYSA-N
ID: 413
SMILES:OC1C2(Oc3c4c(cc(CCCCC)c3)OC(C)(C)C(CC=C(C)C)C4)C(O)=C(c3cc(CC=C(C)CCC=C(C)C)c(O)cc3)OC2c2c(c(O)cc(C)c2O)C1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 807.037
CB1 binding score: -12.985
InChIKey:PQUAGOOLLKEBOT-UHFFFAOYSA-N
ID: 414
SMILES:C(Cc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CN
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 303.446
CB1 binding score: -16.299
InChIKey:SGDNZYPCTZRWAT-UHFFFAOYSA-N
ID: 415
SMILES:CC1(C)C2=Cc3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -15.818
InChIKey:OMIZJYCJYWRFRX-UHFFFAOYSA-N
ID: 416
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 417
SMILES:C(Cc1cc(O)c2c(c1O)OC(C)(C)C1CCC(C)=CC21)CC(C)=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -16.195
InChIKey:YFCVYFQMKFGUOV-UHFFFAOYSA-N
ID: 418
SMILES:CC(C1CC(O)C2C1C1C(C)(CC2)Oc2c(c(O)cc(CCCCC)c2)C1)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -14.713
InChIKey:KVUWNOPHUDMNPM-UHFFFAOYSA-N
ID: 419
SMILES:CC1=CC(c2c(OC)ccc(CCN(C)C)c2)C(C(=C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 420
SMILES:C12C(C)(C)CC(O)CC1(C)Oc1c(c(O)cc(CCCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -15.467
InChIKey:BEVGILVVJSIKDU-UHFFFAOYSA-N