ID: 121549
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 121550
SMILES:C1C(CO)C2CC=C(C)C2C(c2c(O)cc(CCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.926
InChIKey:SDSDQPWIWNDNBD-UHFFFAOYSA-N
ID: 121551
SMILES:c1ccc(C2Cc3c4c(c(C)cc3OC2(C)C)C(O)C(C)C4)cc1OC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.474
CB1 binding score: -14.889
InChIKey:WPPJWCIFOPOSCZ-UHFFFAOYSA-N
ID: 121552
SMILES:C(c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CCC1C2=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -14.418
InChIKey:YIWOFYFUFPSEMB-UHFFFAOYSA-N
ID: 121553
SMILES:C(CCC(=CCc1c(O)cc(CCCCC)cc1OC(=O)C)C(=O)O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -16.315
InChIKey:DTFKIVLRKDOQPK-UHFFFAOYSA-N
ID: 121554
SMILES:O=C1C(C)(C)C2(C(C(=O)C)CC1)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -12.212
InChIKey:AHOXWLZBWQKOIW-UHFFFAOYSA-N
ID: 121555
SMILES:C(Oc1c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C=C2)(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -17.072
InChIKey:HZXXFYNGHIZSNC-UHFFFAOYSA-N
ID: 121556
SMILES:CC1=CC2C(C(=O)C1)C(C)(C)Oc1c2c(O)cc(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -16.015
InChIKey:JZQHYEHJTMDWPZ-UHFFFAOYSA-N
ID: 121557
SMILES:C1=CC(C)(C)Oc2c(c(O)cc(C)c2)C2CC12C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -15.302
InChIKey:JVPSTXNSUSPWRX-UHFFFAOYSA-N
ID: 121558
SMILES:c1(CC(OC(C(C)C)=O)=O)cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -14.701
InChIKey:KSIMUSFMCAQJEJ-UHFFFAOYSA-N
ID: 121559
SMILES:O1C(C)(C)C2C(C(=O)C1)c1c(O)cc(CCCCC)cc1OC(C)(C)C2C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -15.754
InChIKey:BGCFTRATPPEKRS-UHFFFAOYSA-N
ID: 121560
SMILES:C(C)(=CCCC(C)=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: 121561
SMILES:c1(O)cc(C2C(C(C)(C)O)CCC(C)=C2)c(O)cc1CCCCCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.619
CB1 binding score: -13.37
InChIKey:QWLDQTQAHNMXMJ-UHFFFAOYSA-N
ID: 121562
SMILES:CC1(C)Oc2cc(O)cc(C)c2C2CC(C)=CC(=O)C3C(C)(O)CCC1C23
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -16.057
InChIKey:CPOIJQZKYNVCMZ-UHFFFAOYSA-N
ID: 121563
SMILES:C(Oc1cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2)C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.533
CB1 binding score: -16.693
InChIKey:JIDOEMFSVZFJMA-UHFFFAOYSA-N
ID: 121564
SMILES:C(CCC(=O)OC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -16.502
InChIKey:GSNMNDUOKJMQBD-UHFFFAOYSA-N
ID: 121565
SMILES:C1(C(C)C)CC=C(C)CC1c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.27
InChIKey:WPJGAEFIBVPIDI-UHFFFAOYSA-N
ID: 121566
SMILES:C(CCC1C(=C)CC(OC(C)=O)C(C(=C)C)C1COC(C)=O)(C(C)=CCc1c(O)c(C)cc(O)c1)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.66
CB1 binding score: -17.401
InChIKey:NWIPUYLRWLVCAL-UHFFFAOYSA-N
ID: 121567
SMILES:c1(O)cc(CCCCC)cc2c1C1C=C(C)COC1C(O)CC2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -11.364
InChIKey:OFPBGOMKRKNGJN-UHFFFAOYSA-N
ID: 121568
SMILES:c1(O)c(C2C(C(C)=CCC=C(C)C)CCC(CO)=C2)c(C)c(C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -13.939
InChIKey:JPCOEILBTGEGTM-UHFFFAOYSA-N
ID: 121569
SMILES:CC(CCc1c(O)cc(CCCCC)cc1OC(C)=O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 360.538
CB1 binding score: -17.605
InChIKey:VGSWDTUWPCCFFC-UHFFFAOYSA-N