ID: 55504
SMILES:C(CC(OC)=O)C(=O)Oc1c2c(cc(CCCC)c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.542
CB1 binding score: -11.03
InChIKey:QFDIPYHATADMLG-UHFFFAOYSA-N
ID: 55505
SMILES:C1C(CCCC(C)C)(C)Oc2cc(CCC)cc(O)c2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Prenyl quinone meroterpenoids
MW: 290.447
CB1 binding score: -16.45
InChIKey:RPQVKJZVVIMHNS-UHFFFAOYSA-N
ID: 55506
SMILES:C12C(CCC(C)C1O)C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.898
InChIKey:SUVXTOCRTNYFMQ-UHFFFAOYSA-N
ID: 55507
SMILES:C1(=C)C2C(c3c(O)cc(CCCCC)cc3O1)C1C(C)(C)C2CCC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -13.116
InChIKey:BOWBUSMIJWBWHD-UHFFFAOYSA-N
ID: 55508
SMILES:C(CCCC)C(C)c1cc2c(c(O)c1)CC1C(C)(OC(C)(CCC=C(C)C)C3CC13)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.641
CB1 binding score: Not available
InChIKey:LRMVKSRLKBUAEM-UHFFFAOYSA-N
ID: 55509
SMILES:CCCCCc1cc2c(c(O)c1)C1C(O)C(=C(C)C)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.605
InChIKey:VXFAOMXUOSWSMK-UHFFFAOYSA-N
ID: 55510
SMILES:C(C(=CCc1c(O)c(C)cc(OC)c1)C)CC=C(C)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.998
InChIKey:JOEMTWREQIGCCT-UHFFFAOYSA-N
ID: 55511
SMILES:C(C)CCc1cc(O)c2c(c1)OC1(CBr)C3CC(O)C(C)(C3)C1CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 409.364
CB1 binding score: -15.929
InChIKey:KTVCSCSYFLCZPW-UHFFFAOYSA-N
ID: 55512
SMILES:C1C2(C)Oc3c(c(O)c(C(=O)OC)c(CCCCC)c3O)CC2C(=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.792
InChIKey:NIKXUWQYYKTGDK-UHFFFAOYSA-N
ID: 55513
SMILES:CC1CCC2C(C1C)C=CC1C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -13.219
InChIKey:BLTRXGIKIDJKMR-UHFFFAOYSA-N
ID: 55514
SMILES:C1(C)=CC(c2c(O)ccc(CC[N+](O)(C)C)c2)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.465
CB1 binding score: -16.285
InChIKey:FMODVSHWIJQSIC-UHFFFAOYSA-O
ID: 55515
SMILES:C(C)(=CCCC(c1c(C=O)c(O)c(C2C=C(C)CCC2C(C)=C)cc1)C=C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 378.556
CB1 binding score: -16.212
InChIKey:HMIFUXKGLAKNKG-UHFFFAOYSA-N
ID: 55516
SMILES:CCCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -17.958
InChIKey:XBYQFRDCUJDLAX-UHFFFAOYSA-N
ID: 55517
SMILES:c12c(cc(CCCCC)cc1)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.63
InChIKey:JVHZDTKSUFPVNF-UHFFFAOYSA-N
ID: 55518
SMILES:CC1=CC2C(C(C)(C)Oc3cc4c(c(O)c3C)CC(C)C4CCC(C)=C2)CC1N=C=S
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 437.649
CB1 binding score: -14.513
InChIKey:DPRPHDZXUCDSMY-UHFFFAOYSA-N
ID: 55519
SMILES:C(CCC(CSCC(=C)C1CCC(C)=CC1)C)c1ccccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.565
CB1 binding score: -12.945
InChIKey:XNQRGFGOTTWZRK-UHFFFAOYSA-N
ID: 55520
SMILES:Oc1cc(CCCCC)cc2c1C1CC(C)(O2)CC2c3c(cc(C)c(O)c3C#CC(C)(C)O2)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 462.586
CB1 binding score: -12.011
InChIKey:RCMBEWYCOPNKRL-UHFFFAOYSA-N
ID: 55521
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(=C)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -18.729
InChIKey:VHYDABIFTJKCRR-UHFFFAOYSA-N
ID: 55522
SMILES:O(c1cc(C2C=C(C)CCC2C(C)(C)O)c(O)c(CC=C(C)C)c1O)CCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: Not available
InChIKey:FSVXICJFXGTVRK-UHFFFAOYSA-N
ID: 55523
SMILES:CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 55524
SMILES:c1(C)c2c(ccc1OCCCCCCC)C1C=C(C)C(O)CC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -15.375
InChIKey:LLFFVXWQULJVGG-UHFFFAOYSA-N