ID: 58654
SMILES:C1C(Cl)C(C)(O)C2(Oc3c(c(O)cc(CCC)c3)C2O)C(C)(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.873
CB1 binding score: -14.552
InChIKey:LKAPRSGMOVOBTJ-UHFFFAOYSA-N
ID: 58655
SMILES:CC1(C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.085
InChIKey:NBKYHNONEWSMHK-UHFFFAOYSA-N
ID: 58656
SMILES:C12C(c3c(O)cc(CCCCC)cc3O1)C(C(C)C)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.059
InChIKey:DFDPTHLLXVCMEU-UHFFFAOYSA-N
ID: 58657
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(C(C)C)CCC(C)(O2)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -16.393
InChIKey:NGTPJAMOWNUXOS-UHFFFAOYSA-N
ID: 58658
SMILES:c12c(CO)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.052
InChIKey:QQEVRLZRUXIXKV-UHFFFAOYSA-N
ID: 58659
SMILES:O(c1cc(CCCCC)cc(O)c1)C1C(C(C)C)CCC2(C)C1C(C)=CCC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.604
CB1 binding score: -15.929
InChIKey:TWHZGWUVVCQTAJ-UHFFFAOYSA-N
ID: 58660
SMILES:Oc1cc(CCC)cc2c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -17.6
InChIKey:BQTLJMHBLRMDJC-UHFFFAOYSA-N
ID: 58661
SMILES:C(C=C(CCC=C(C)C)C)CC(C)=CCc1c(O)cc(CCc2ccc(OC)c(O)c2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 464.646
CB1 binding score: -15.616
InChIKey:XSCUEBDUUSLXMO-UHFFFAOYSA-N
ID: 58662
SMILES:C1(C)=CCCC(C)=CC2C(=C(C)C)CC1c1c(O)cccc1C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 308.465
CB1 binding score: -15.697
InChIKey:NRFOXLGISGQCTI-UHFFFAOYSA-N
ID: 58663
SMILES:C(CO)(C)=Cc1c(OC)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -13.947
InChIKey:QWEXCAGYRHDAHI-UHFFFAOYSA-N
ID: 58664
SMILES:C(CC=CC=O)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -16.625
InChIKey:OSNDJYGPSZNWGZ-UHFFFAOYSA-N
ID: 58665
SMILES:OC1(C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 58666
SMILES:c1(OC)c(CCCCC)cc2c(c1O)-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -18.616
InChIKey:PYKBXNRGFBKQTI-UHFFFAOYSA-N
ID: 58667
SMILES:C1(Oc2ccccc2)OC2c3c(cc(CCCCC)cc3O)OC(C)(C1C=CC(O)(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 466.618
CB1 binding score: -17.294
InChIKey:DXXQBQLENCYLEW-UHFFFAOYSA-N
ID: 58668
SMILES:C(CNC(CC(C)CCC(c1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1O)=O)C)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 445.6
CB1 binding score: -12.723
InChIKey:DCWPIAICDGZIRY-UHFFFAOYSA-N
ID: 58669
SMILES:CC1(C)C2CC=C(CO)CC2c2c(O)cc(CCCCC)cc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.317
InChIKey:CZBMQALBOBRSHJ-UHFFFAOYSA-N
ID: 58670
SMILES:c1(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)cc(O)c2c1OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 480.689
CB1 binding score: -14.739
InChIKey:RXCFDUNZFOTNNE-UHFFFAOYSA-N
ID: 58671
SMILES:C12=C(C(=O)C(C)(C)C1)C(C)(C)Oc1ccc(CCCCC)cc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: Not available
InChIKey:YPTMQESYCQLOFR-UHFFFAOYSA-N
ID: 58672
SMILES:CC(CCC(COc1c2c(cc(C)c1)OC(C)(C)C1C2C=C(COC(c2c(C)cccc2)=O)CC1)O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 506.683
CB1 binding score: -14.592
InChIKey:ZKRLRTJRMKKOLO-UHFFFAOYSA-N
ID: 58673
SMILES:OC1C(C(C)C)C(O)C2C(C)(C1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -15.41
InChIKey:FIESRFUSHSFPRV-UHFFFAOYSA-N
ID: 58674
SMILES:Oc1cc(C2C=C(C)C(O)CC2C(C)=C)ccc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.125
InChIKey:FETWJCSSNWIZMV-UHFFFAOYSA-N