ID: 35890
SMILES:C12(c3c(cc(CCCCC)cc3O)OC1O)C(C)CC(C(=C)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.606
InChIKey:BJPHTRITALNWPZ-UHFFFAOYSA-N
ID: 35891
SMILES:C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 35892
SMILES:CC1=CC(c2ccc(CCN(C)C)cc2O)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 301.474
CB1 binding score: -16.234
InChIKey:NUSAIHNIXJWOJB-UHFFFAOYSA-N
ID: 35893
SMILES:C12CC(=O)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -18.768
InChIKey:YHIZWEDKQCYPIV-UHFFFAOYSA-N
ID: 35894
SMILES:CC1CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -20.541
InChIKey:XKRHRBJLCLXSGE-UHFFFAOYSA-N
ID: 35895
SMILES:C(O)(c1c(C)c2c(c(OC)c1CC=CC)OC(C)(C)C1C2C=C(COC(=O)C)CC1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: -16.529
InChIKey:DZEGZNMXMAOPBS-UHFFFAOYSA-N
ID: 35896
SMILES:C(=CCCC1(C)Oc2cc(CCCCC)c(C(O)=O)cc2C=C1)C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -15.924
InChIKey:HMQFAUADMBHKOQ-UHFFFAOYSA-N
ID: 35897
SMILES:C(Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.371
CB1 binding score: -18.748
InChIKey:KEBLMJFKEVAPFE-UHFFFAOYSA-N
ID: 35898
SMILES:CC(CCC=C(C)C)=CCc1c(CCCCC)cc(O)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17
InChIKey:CUQLLVPNTXISJP-UHFFFAOYSA-N
ID: 35899
SMILES:C1(C)=CCC2C(C)(C)Oc3c(c(OCC=C)cc(CCCCCC)c3)C2C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.56
CB1 binding score: -12.326
InChIKey:MBTZGNABJKJPNO-UHFFFAOYSA-N
ID: 35900
SMILES:C(CCCC)c1cc(C2C=C(C)CCC2C(=C)C)ccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -16.847
InChIKey:PVKBYZURVQTCBR-UHFFFAOYSA-N
ID: 35901
SMILES:C1C(C)=CC2C(C(C)(C)Oc3c2ccc(O)c3C=CC(C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -16.679
InChIKey:AQRDLPWLGVRMHA-UHFFFAOYSA-N
ID: 35902
SMILES:CC1(C)C2CCC(C)CC2c2c(cc(CCC)cc2O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -18.987
InChIKey:QYNCMPYNYFYQFE-UHFFFAOYSA-N
ID: 35903
SMILES:O=C(c1cc(OC)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.056
InChIKey:YQVAKJWYOGPBMR-UHFFFAOYSA-N
ID: 35904
SMILES:O=C1C(C)=CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.892
InChIKey:WBFVHFCVGUDTNV-UHFFFAOYSA-N
ID: 35905
SMILES:C1(C)C=CC2(C)Oc3c(c(OC)cc(CCCCC)c3)C3CC(C)(O)C2C3(C)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -15.858
InChIKey:NCJLGUVHTQXPKF-UHFFFAOYSA-N
ID: 35906
SMILES:CC(=CCCC(=C)C1Oc2cc(CCCCC)cc(OC)c2C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -13.632
InChIKey:PCSOYCWJAWMNBT-UHFFFAOYSA-N
ID: 35907
SMILES:C1C(C)=CC2C(C(C)(C)Oc3c2c(O)c(C(=O)O)c(Cl)c3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 322.788
CB1 binding score: -14.998
InChIKey:PATQPWAVEBLBPI-UHFFFAOYSA-N
ID: 35908
SMILES:c1(C)c(-c2c(O)cc(CCCCC)cc2O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.608
CB1 binding score: -15.512
InChIKey:BHHYJRCARYLQGM-UHFFFAOYSA-N
ID: 35909
SMILES:C(C(CCC(C)=CCCC(=CCc1c(O)cc(CCc2ccccc2)cc1O)C)C)CC(O)(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.717
CB1 binding score: Not available
InChIKey:LTQSPJUUOMXAAV-UHFFFAOYSA-N
ID: 35910
SMILES:C12C(CCC(C)=C1)C(C)(C)Oc1c2c(O)c(Br)c(C)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 337.257
CB1 binding score: -17.596
InChIKey:CMFSVCZTLAQKRJ-UHFFFAOYSA-N