ID: 125518
SMILES:C(c1ccc2c(c1)OC1(C(C)=O)CC(=C(C)C)CCC1(C)C2)CCCCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.615
CB1 binding score: -16.631
InChIKey:VALHVDDYXBGYGP-UHFFFAOYSA-N
ID: 125519
SMILES:c1(O)c(C)cc(Oc2cc(CC=C)c(C3C=C(C)CCC3C(C)=C)c(O)c2)c(C)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.55
CB1 binding score: -16.884
InChIKey:OKQLCGGSEQJPDW-UHFFFAOYSA-N
ID: 125520
SMILES:c1(OC)c2c(occ2COC(C)=O)c(OCC)c2c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.498
CB1 binding score: -16.388
InChIKey:LDVANSSMXAHLCM-UHFFFAOYSA-N
ID: 125521
SMILES:C1CC(C)C(C)Oc2cc(CCCCC)cc(O)c21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -17.088
InChIKey:CGDRIZJSELTZBK-UHFFFAOYSA-N
ID: 125522
SMILES:CC12Oc3c4c(nc(CCCC)c3)OC(C)(C)C(C1)C42
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 273.376
CB1 binding score: -14.638
InChIKey:WYVFKEFTGRRXSN-UHFFFAOYSA-N
ID: 125523
SMILES:c1c(-c2c(O)c(C)c3c(c2)OC(C)(C)C(CO)C3)oc(CCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -13.157
InChIKey:RRNBRCMVHSENBL-UHFFFAOYSA-N
ID: 125524
SMILES:O(C(C(C)=CC)=O)CCc1cc(OC)c(C2C(C(C)=C)CCC(C)=C2)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.517
CB1 binding score: -15.047
InChIKey:KVOMGAPEZBJPPD-UHFFFAOYSA-N
ID: 125525
SMILES:C(CCc1ccc(O)c(CC=C(C)CCC=C(C)C)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 286.459
CB1 binding score: -18.208
InChIKey:PSMHNXSQELAMNN-UHFFFAOYSA-N
ID: 125526
SMILES:CC1(C)C2(C(O)=O)C(CC(C)=CC2)c2c1cc(CCCCC)cc2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -14.268
InChIKey:HCPIPXCMZGDTAZ-UHFFFAOYSA-N
ID: 125527
SMILES:CC(=O)C1CC=C(C)CC12Oc1c(c(CCCCC)cc(O)c1)C2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.435
CB1 binding score: -11.575
InChIKey:WHNFUHVDFVXSFP-UHFFFAOYSA-N
ID: 125528
SMILES:C(C1(O)C(CO)=CC(c2c(O)cc(CCCCC)cc2O)C1CC=C(C)C)C(C(C)C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.612
CB1 binding score: -15.037
InChIKey:MBDVOXVRNZEZIW-UHFFFAOYSA-N
ID: 125529
SMILES:O=C(C(=CC=CC(C)(C)O)C)Cc1c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -15.929
InChIKey:BPDHHALCMYYRMB-UHFFFAOYSA-N
ID: 125530
SMILES:OC(=O)C(C(C1Oc2c(c(O)cc(CCCCC)c2)C1CC1C2(C)C(=CCCC2)CCC1C)=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.689
CB1 binding score: -14.934
InChIKey:JYVHPQXJGYFNPF-UHFFFAOYSA-N
ID: 125531
SMILES:c1(O)c(CC=C(C)CCC=C(C)C)c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -19.824
InChIKey:YJYIDZLGVYOPGU-UHFFFAOYSA-N
ID: 125532
SMILES:CC1(C)OC(c2ccccc2)(Oc2ccc(C(C)(C)C)cc2)CC1CCC(C=C)(C)O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.609
CB1 binding score: -14.018
InChIKey:ZYNILSWMZPPPMK-UHFFFAOYSA-N
ID: 125533
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1=CC(=O)C3(CC12)CC=C(C)C3CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.647
CB1 binding score: -15.823
InChIKey:SHXGBAZUMFBTEL-UHFFFAOYSA-N
ID: 125534
SMILES:C(C)(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N
ID: 125535
SMILES:Oc1cc2c(cc1CCCCC)OC(C)(C)C1=CC=C(C)C1=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -15.934
InChIKey:GOBWUOASBNJOGF-UHFFFAOYSA-N
ID: 125536
SMILES:c1(CCCCC)cc(O)c(C2C(C(O)(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -19.812
InChIKey:FTDORWGKHUOHKJ-UHFFFAOYSA-N
ID: 125537
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C2C(C)CCC2C(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -16.015
InChIKey:RGMORMDPUKSPIJ-UHFFFAOYSA-N
ID: 125538
SMILES:c12ccc(CCCCC)cc1OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.334
InChIKey:GKTLMTLABYYGES-UHFFFAOYSA-N