ID: 31942
SMILES:C1C(C(C)=C)C(c2c(O)cc(O)cc2C)C=C(CCC=C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.128
InChIKey:PWPCZQXZMHSSRL-UHFFFAOYSA-N
ID: 31943
SMILES:C12C(Oc3cc(CCCCC)cc(O)c31)C(O)(C)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.961
InChIKey:CNKSTABSFLNANJ-UHFFFAOYSA-N
ID: 31944
SMILES:CC(O)(C1Oc2c(c(O)cc(CCCCC)c2)C=C1)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -17.683
InChIKey:BZJPPSRZOYOQQD-UHFFFAOYSA-N
ID: 31945
SMILES:c12cc(CCCCC)cc(O)c1C1C(C)(C(CCC(CO)=CCO)=CC2)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -12.481
InChIKey:LHMQFOXVZPOCAP-UHFFFAOYSA-N
ID: 31946
SMILES:C1=C(C)CCC(C(C)(O)C)C1c1c(O)cc(C)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -17.637
InChIKey:CHUDUQRJNYLFSG-UHFFFAOYSA-N
ID: 31947
SMILES:COc1c2c(cc(CCCCC)c1)OC(C)(C)c1c(OC)c(OC)c(C)cc1C2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.624
CB1 binding score: -15.485
InChIKey:YJWNQHWKGQGAAW-UHFFFAOYSA-N
ID: 31948
SMILES:c1(C)c2c3c(c(OC)cc(OCCCC)c3c(C3=CC(C)(C)OC(C)(C)C3)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 532.765
CB1 binding score: -14.395
InChIKey:REPSWUOONIMQLE-UHFFFAOYSA-N
ID: 31949
SMILES:c1c(CCCCC)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 31950
SMILES:CC1=CC2C(C(O)C1)C(C)(C)Oc1c(c(O)cc(CCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.242
InChIKey:QAHKAYHAJJTPIN-UHFFFAOYSA-N
ID: 31951
SMILES:C(O)C1=CC2c3c(cc4c(c3C)C(O)C(O)C(C)(C)O4)OC(C)(C)C2CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.673
InChIKey:TUSXQWFSJPDWBV-UHFFFAOYSA-N
ID: 31952
SMILES:C1C(C(=C)C)C(c2c(CCCCC)cc(O)c3c2OC2(C)C(C3)C2(C)C)OC1C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -13.925
InChIKey:JZBQDZQTDKBQTM-UHFFFAOYSA-N
ID: 31953
SMILES:C1C23OCC(C)C2c2c(cc(C)cc2O)OC(C)(C)C13
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -12.409
InChIKey:LPTNAXBKYLJNNB-UHFFFAOYSA-N
ID: 31954
SMILES:CC1(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 31955
SMILES:C(CCCc1cc2c(c(O)c1)C1=C(C(C)(C)O2)CCC(C)=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -20.728
InChIKey:RECLSNODOVFMMU-UHFFFAOYSA-N
ID: 31956
SMILES:OC(C(N)Cc1c2c(cc(C)c1C)OC(C)(C)C1CCC(C)=CC21)=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 343.467
CB1 binding score: -14.988
InChIKey:XAIOUQRLJKCWEX-UHFFFAOYSA-N
ID: 31957
SMILES:C(CC(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)O)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.998
InChIKey:CQDIVXIGXATVPX-UHFFFAOYSA-N
ID: 31958
SMILES:O(C1(C)C2C(c3c(O)cc(CCCC)cc3O)OC(C(O)CO)(C)C2CC1)C(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 422.518
CB1 binding score: -15.472
InChIKey:RQKKULIVGKJKOB-UHFFFAOYSA-N
ID: 31959
SMILES:C(=CCc1c(O)cc(CCCCC)cc1O)(CCC=C(CCC=C(C)C)C)C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.586
CB1 binding score: -16.602
InChIKey:QPJZPJUSSQKOST-UHFFFAOYSA-N
ID: 31960
SMILES:C(CCCC)CCCCCCCCCCCCC(OCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 540.873
CB1 binding score: -14.055
InChIKey:HQLOCKMTOOQUTP-UHFFFAOYSA-N
ID: 31961
SMILES:C1(C(O)=O)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 31962
SMILES:C1CC(C)=CC2c3cc(O)cc(C)c3OC(C)(C)C12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.472
InChIKey:MRMJKDJYMLWPGM-UHFFFAOYSA-N