ID: 86437
SMILES:C(c1c(CCCCC)cc2c(c1O)OC(C)(C)C1C2C=C(C(=O)O)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.171
InChIKey:WZCVHQKJLVIVPR-UHFFFAOYSA-N
ID: 86438
SMILES:C1CCC(C)(C)C(Cc2c(CCCCC)cc(O)cc2O)C1=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.381
InChIKey:GIUMJHDYIXPIHH-UHFFFAOYSA-N
ID: 86439
SMILES:c1(CCCCCC)cc2c(c(O)c1)C1C3C(CCC(=CC(=O)O)CO3)(C)C(C)CCC1(C)C(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 484.677
CB1 binding score: -15.61
InChIKey:ANBHZTYQJBETDN-UHFFFAOYSA-N
ID: 86440
SMILES:C1C(C)(C)C2C(C)(CC1)Oc1c(c(O)cc(CCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 302.458
CB1 binding score: -17.684
InChIKey:SQNFBZBGPYOMLU-UHFFFAOYSA-N
ID: 86441
SMILES:C(CCCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.427
InChIKey:UTXVBEHMQGNODO-UHFFFAOYSA-N
ID: 86442
SMILES:C1C(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 86443
SMILES:C1C(C)(C)Oc2cc(CCCCC[N+](C)(C)C(=O)O)ccc2C1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.452
CB1 binding score: -14.25
InChIKey:KHUOEDHUSISGEQ-UHFFFAOYSA-O
ID: 86444
SMILES:C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C(C)(O)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -18.762
InChIKey:ICMJYQRNULRNTK-UHFFFAOYSA-N
ID: 86445
SMILES:c1(O)cc(CCCCC)cc2c1-c1ccc3c(c1C2(C=O)C(CC(=O)O)C3C(O)C)CCCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.656
CB1 binding score: -14.722
InChIKey:XCXRYUWKLCKXAO-UHFFFAOYSA-N
ID: 86446
SMILES:C1=C(C)C(=O)C(O)C2C(C)(C)Oc3c4c(cc(O)c3C12)C(C)CC(O)O4
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.406
CB1 binding score: -17.806
InChIKey:AMUAFHVIMBCPQA-UHFFFAOYSA-N
ID: 86447
SMILES:CC1(C)C2C(c3c(O)c(OC)cc(CCCCC)c3O2)C=C(C)CCC1OO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.52
CB1 binding score: -14.744
InChIKey:GEDCJVDAYLRLRS-UHFFFAOYSA-N
ID: 86448
SMILES:OC(C(C)C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.013
InChIKey:FGFOTVXVDVGRKF-UHFFFAOYSA-N
ID: 86449
SMILES:C1(C)CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.501
CB1 binding score: -21.078
InChIKey:LXIXAVCVBZBXIY-UHFFFAOYSA-N
ID: 86450
SMILES:c1(C(=O)OC(C)CCC)cc(OC)c2c(c1)OC(C)(C)C1C2C=C(COC(C)=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -11.871
InChIKey:GTIKUAAGFVIDJT-UHFFFAOYSA-N
ID: 86451
SMILES:C(CCC)CCc1cc2c(c(O)c1)C1=CC(C)(C)OC1(C)C(C)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -12.366
InChIKey:MFCNHQHPKXVTFS-UHFFFAOYSA-N
ID: 86452
SMILES:CCCCCc1cc2c(c(O)c1)C1C(CC(C)(O)CC1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.715
InChIKey:POGJSPFSYBEGJI-UHFFFAOYSA-N
ID: 86453
SMILES:Oc1cc(C)cc2c1C1C(C(COC(C)=O)=C)CCC(C)(O)C1O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.396
CB1 binding score: -15.519
InChIKey:ZZUIJJUUDLGETK-UHFFFAOYSA-N
ID: 86454
SMILES:CCCCCCCc1c2c(C=O)c(O)c(C=O)c(O)c2c(O)c(C2C=C(C)CCC2C(C)=C)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.601
CB1 binding score: -14.948
InChIKey:APPRPIUXPAWZTD-UHFFFAOYSA-N
ID: 86455
SMILES:C(C)CCCc1cc2c(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: 86456
SMILES:c1cc(OCCC(C)CCCc2cc(C3C(C(C)C)CCC(C)=C3)c(O)cc2)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 640.993
CB1 binding score: -14.175
InChIKey:FNZQZACDFVWLDF-UHFFFAOYSA-N
ID: 86457
SMILES:O=C(C)Oc1c2c(cc(CCCCC)c1)OC(CCC=C(C)C)(C)C1CCC(O)(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.64
CB1 binding score: -16.286
InChIKey:PDLJPHLILXMTGR-UHFFFAOYSA-N