ID: 102439
SMILES:c1c(OCC2C(C)(CCC3C(C)(C)O3)CC3C(C)(O3)C2)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -14.156
InChIKey:AXPRJEQWKXDHNS-UHFFFAOYSA-N
ID: 102440
SMILES:C12C(C)(C)Oc3cc(CCCCC)cc(OC4C(O)C(O)C(O)C(CO)O4)c3C1CCCC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 478.582
CB1 binding score: -13.29
InChIKey:MTZPAEGIEDBRRB-UHFFFAOYSA-N
ID: 102441
SMILES:c1ccc(C2C(C(C)=C)CCC(C)=C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 228.335
CB1 binding score: -18.767
InChIKey:FFUBTKRHDZNPRU-UHFFFAOYSA-N
ID: 102442
SMILES:C(CCCc1cc2c(c(O)c1)C13C(=C(O)C2CC1)C(=O)OCC3O)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.472
CB1 binding score: -15.414
InChIKey:YXNMMBLZDSYZTP-UHFFFAOYSA-N
ID: 102443
SMILES:C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CC(=C(C)C)CC2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -12.147
InChIKey:AFLNKBVJEFGNQC-UHFFFAOYSA-N
ID: 102444
SMILES:C1(=C)C(O)CC2C(C1)c1c(O)c(O)c(C(C)C)cc1OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -17.274
InChIKey:PTJARUHRUADVRW-UHFFFAOYSA-N
ID: 102445
SMILES:C(CCc1c2occc2c(O)c2c1OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.463
CB1 binding score: -16.015
InChIKey:IKINIDBMZJAZTR-UHFFFAOYSA-N
ID: 102446
SMILES:C1=CC(C(O)CC(O)C(C)(C)O)(C)OC(C)(c2c(O)cc(C(C)C)cc2O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.508
CB1 binding score: -16.814
InChIKey:AZECZHMEXFLOAP-UHFFFAOYSA-N
ID: 102447
SMILES:C(C(C)=CC(O)CC(=CCc1cc(OC(C)=O)cc(C)c1OC(C)=O)C)=CC(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 430.541
CB1 binding score: -14.008
InChIKey:LZKMWGDTYKLUTQ-UHFFFAOYSA-N
ID: 102448
SMILES:C(C1(C)Cc2occ3c2C1C(=O)CC3C)CC(=CCc1cc(OC)cc(C)c1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.538
CB1 binding score: -12.246
InChIKey:MORMKJYSVQWQMS-UHFFFAOYSA-N
ID: 102449
SMILES:C1CC2(C)Oc3cc(CCCCC)cc(O)c3C(C(C)(C)O2)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -15.281
InChIKey:HURXTAFBIRIARS-UHFFFAOYSA-N
ID: 102450
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C2C(C)(O1)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -14.22
InChIKey:JSZWEQYCCQOVHT-UHFFFAOYSA-N
ID: 102451
SMILES:C(C)COC(=O)c1c(O)cc(CCCCC)cc1OC1C(C(C)C)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -14.739
InChIKey:KHNOTFMBDWDVKC-UHFFFAOYSA-N
ID: 102452
SMILES:C1=C(C)CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.748
InChIKey:ORIYPICUSOGUOA-UHFFFAOYSA-N
ID: 102453
SMILES:c1(O)cc(CCCCCC)cc(O)c1C1(C(=C)C)C(Oc2ccccc2)C=C(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 406.566
CB1 binding score: -14.035
InChIKey:BUNPYSIAUQJGJM-UHFFFAOYSA-N
ID: 102454
SMILES:c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(=O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -18.882
InChIKey:UEFGHYCIOXYTOG-UHFFFAOYSA-N
ID: 102455
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 102456
SMILES:CC1(C)Oc2cc(O)cc(CCCCC)c2C=CC(C)(O)CCC=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -15.142
InChIKey:MJLQVIVCSQHDJR-UHFFFAOYSA-N
ID: 102457
SMILES:c1(O)c(Cc2ccc(CCCC(C)C)cc2)c(O)c(C(CCC)=O)c(O)c1C1C=C(C)CCC1C(=C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 504.711
CB1 binding score: -12.935
InChIKey:SQEIEVKJQPFPMH-UHFFFAOYSA-N
ID: 102458
SMILES:CC1=CC(OC(=O)C(C)=CC)C2(C)CCC(C(=C)C)C2c2c(O)cc(CCCCC)cc21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 436.636
CB1 binding score: -14.963
InChIKey:WGRQQKUZDGQTMW-UHFFFAOYSA-N
ID: 102459
SMILES:C1(Br)CC(Cl)C(C)(Cl)CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 492.325
CB1 binding score: -15.995
InChIKey:QSCONPJYJATWRK-UHFFFAOYSA-N