ID: 39397
SMILES:C(CCCCCCC)C1(OC)c2c(cc(CCCCC)cc2O)OC(C)(C)C2CCC(C)(O2)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.753
CB1 binding score: -15.377
InChIKey:WCLLSXFKDQVLSG-UHFFFAOYSA-N
ID: 39398
SMILES:c1(O)cc(CCCC)cc2c1C1C(=C(C)C2)C(O)C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -16.916
InChIKey:VSSDLAKIJKKRCI-UHFFFAOYSA-N
ID: 39399
SMILES:C(CC(OO)C(C)=C)C(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 392.492
CB1 binding score: -15.029
InChIKey:QDOJMIUELLDHDR-UHFFFAOYSA-N
ID: 39400
SMILES:C12C(C(C(CCC=C(C)C)C)C)CCC1(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.631
CB1 binding score: -13.749
InChIKey:FOSJPICUJQYBDQ-UHFFFAOYSA-N
ID: 39401
SMILES:C(C)(C1C=CC(C)CC1c1c(O)cc(CCCCC)cc1O)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.156
InChIKey:WHCIPUBSRQYMLV-UHFFFAOYSA-N
ID: 39402
SMILES:O1c2c(c(O)cc(CCCCC)c2)C2=CC=C(C)CCC1(C)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -14.258
InChIKey:XNQIBVGCFBMGKN-UHFFFAOYSA-N
ID: 39403
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2)(C(=O)O)CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.532
CB1 binding score: -16.202
InChIKey:VITDYGJRXMSZGN-UHFFFAOYSA-N
ID: 39404
SMILES:C1=C(C)CC(c2ccc(CCCCCC)cc2)C(C(C)C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.514
CB1 binding score: -16.502
InChIKey:PSLRYWKIHTXRJX-UHFFFAOYSA-N
ID: 39405
SMILES:c1(O)c2c(cc(C)c1)OC(CCC1C(C)(C)O1)(C)C(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 292.375
CB1 binding score: -13.752
InChIKey:RGBMZPMYZMLEAY-UHFFFAOYSA-N
ID: 39406
SMILES:c1(O)cc(CCC)cc2c1C1CC(=C)CCC(C(C)=C)C21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.427
CB1 binding score: -16.074
InChIKey:VQPWDLWSVIDNPI-UHFFFAOYSA-N
ID: 39407
SMILES:OCC(c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)(O)C(O)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 390.564
CB1 binding score: -16.62
InChIKey:GIKMGNAOTANDON-UHFFFAOYSA-N
ID: 39408
SMILES:C12(c3c(cc(CCCCCO)cc3O)OC1(C)C)CC(C)OC2O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 336.428
CB1 binding score: -14.751
InChIKey:RCVHTFRZMVPWDX-UHFFFAOYSA-N
ID: 39409
SMILES:Oc1cc(CCCCC)cc2c1C1(O)OC(C2(C)C)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -14.301
InChIKey:FKJAKTLESZDSEV-UHFFFAOYSA-N
ID: 39410
SMILES:CC1(C)Oc2c(c(O)cc(CCCC)c2)C2CC(O)(C)C(O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -16.563
InChIKey:SNPHSPHUPGUCAY-UHFFFAOYSA-N
ID: 39411
SMILES:CC1(C)Oc2cc(O)c(C(O)=O)c(CCCCC)c2C2C(C1)C(=O)C(O)(CC=C(C)C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.551
CB1 binding score: -15.545
InChIKey:HNLMSYJQTRJZAD-UHFFFAOYSA-N
ID: 39412
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.487
CB1 binding score: -19.108
InChIKey:KCGRQTUOQYSEJY-UHFFFAOYSA-N
ID: 39413
SMILES:c1c(CCO)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -14.942
InChIKey:HUXDUMXHRYBWNF-UHFFFAOYSA-N
ID: 39414
SMILES:CCCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(O)C2OC(=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -13.97
InChIKey:MRLANDFAQJCDKU-UHFFFAOYSA-N
ID: 39415
SMILES:C1(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.792
InChIKey:DUCPENNZPXXAKC-UHFFFAOYSA-N
ID: 39416
SMILES:C1(C(=C)C)CCC(C)=CC1c1c(OC)ccc(CC[N+](O)=O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.421
CB1 binding score: -16.015
InChIKey:BZSDZCBMGRHXFN-UHFFFAOYSA-N
ID: 39417
SMILES:CC(C)=CCCC(=CCc1c(O)c(C(=O)C(CC)C)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.689
CB1 binding score: -19.088
InChIKey:ALRMJXZBANRUID-UHFFFAOYSA-N