ID: 17494
SMILES:C1=C(C)CCC2C(C)(C)Oc3c(c(O)c(C(=O)C(CC)C)c(O)c3C=O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Phloroglucinols
Class: Cannabinoids;Phloroglucinol-terpene hybrids
MW: 372.461
CB1 binding score: -17.19
InChIKey:PCQGORPGJVHXJE-UHFFFAOYSA-N
ID: 17495
SMILES:Oc1cc(CCCCC)cc(O)c1C1OC(C=C(C)C)C2=C(C)C(O)CC12C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -13.623
InChIKey:BRSOYMSAFNEKQB-UHFFFAOYSA-N
ID: 17496
SMILES:c1c(O)cc(CCCl)c2c1OC(C)(C)C1CCC(C)=CC12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.833
CB1 binding score: -15.707
InChIKey:YFPVGXPDFLLAIY-UHFFFAOYSA-N
ID: 17497
SMILES:C(CCCC)Cc1cc2c(c(O)c1)C1C(CC=C(C)C)(CC(C(C)(O)C)O1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.629
CB1 binding score: -12.693
InChIKey:HBOXABCDPXBQGV-UHFFFAOYSA-N
ID: 17498
SMILES:C1(O)C(C)C=CC2C(C)(C)Oc3c(c(OC)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.1
InChIKey:UHXPAVKKIFRGPQ-UHFFFAOYSA-N
ID: 17499
SMILES:c1(CCCCC)cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 17500
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 17501
SMILES:C(CCCC)c1cc2c(c(O)c1)C1CC(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: 17502
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(=C)C)CC3(C(C)CCC31)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.776
InChIKey:HWVDDRFPKNRKOZ-UHFFFAOYSA-N
ID: 17503
SMILES:C(CCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)(C)O)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -16.705
InChIKey:AANRBWMLYWAOPR-UHFFFAOYSA-N
ID: 17504
SMILES:C(CCCCCC)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.578
CB1 binding score: -16.325
InChIKey:ZALOQXJTXDYIAZ-UHFFFAOYSA-N
ID: 17505
SMILES:O(C)c1c(C=O)c(CCCCC)cc2c1C1C(CC=C(C)C1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -15.224
InChIKey:MBSSBRQNECPQLG-UHFFFAOYSA-N
ID: 17506
SMILES:c1(C=O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)C(=O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -16.471
InChIKey:DBHWTWHOTIDGAK-UHFFFAOYSA-N
ID: 17507
SMILES:C(O)C1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CCC(C)=CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.756
InChIKey:KZSPITWSGNVMLP-UHFFFAOYSA-N
ID: 17508
SMILES:O(C)C(C(c1c(O)c2c(cc1CCC)OC(C)(C)C1C2CC(C)CC1)COC(C)=O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 432.557
CB1 binding score: -16.88
InChIKey:BLLVUCMIMPPURM-UHFFFAOYSA-N
ID: 17509
SMILES:C1(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.374
CB1 binding score: -17.527
InChIKey:TXECNXSKSOHJBY-UHFFFAOYSA-N
ID: 17510
SMILES:c1c(C)c(C2C(C(C)=C)CCC(C)=C2)ccc1OC(C)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -16.078
InChIKey:OUFAICGZZJSHHK-UHFFFAOYSA-N
ID: 17511
SMILES:C(C)(C)CC(c1c(O)c2c(c(C=O)c1O)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Phloroglucinols
Class: Cannabinoids;Phloroglucinol-terpene hybrids
MW: 372.461
CB1 binding score: -17.581
InChIKey:JFADHCMLMYPJCV-UHFFFAOYSA-N
ID: 17512
SMILES:C1C2(O1)c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.349
CB1 binding score: -16.203
InChIKey:YHKQORWTTCKVJY-UHFFFAOYSA-N
ID: 17513
SMILES:C(C)CCCCc1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -18.766
InChIKey:OKXUDFJPZMVBEH-UHFFFAOYSA-N
ID: 17514
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N