ID: 39334
SMILES:c12cc(CCCCC)cc(O)c1OC(CCC=C(CCC=C(C)C)C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -17.071
InChIKey:KOIWJUXASCTNFR-UHFFFAOYSA-N
ID: 39335
SMILES:C1C(Br)C(C)(C)OC2=C1c1c(cc(CCCCC)cc1O)OC2(CCCC(C)C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 479.499
CB1 binding score: -15.153
InChIKey:FIIBCXUUWUQMKA-UHFFFAOYSA-N
ID: 39336
SMILES:c1cc(O)cc2c1OC(C)(C)C1CCC(CO)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -20.48
InChIKey:YHVSUBRHUHWIPQ-UHFFFAOYSA-N
ID: 39337
SMILES:Oc1c(CCCCC)cc2c(c1)OC(C)(C)C1C2CC(C)(OC)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.61
InChIKey:QKZKJAQOAOECRX-UHFFFAOYSA-N
ID: 39338
SMILES:C(C)CC(C)=CCCC(C)=CCc1cc(O)cc(C)c1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -15.418
InChIKey:BJHLOZBPLINYOB-UHFFFAOYSA-N
ID: 39339
SMILES:C(CC)CCCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -18.188
InChIKey:GGHRHCGOMWNLCE-UHFFFAOYSA-N
ID: 39340
SMILES:CCCCCCCCc1c(-c2cc(C3C(C(C)C)CCC(C)=C3)c(OC)cc2)cccc1CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 474.773
CB1 binding score: -16.476
InChIKey:DERCMOMBXHLEOY-UHFFFAOYSA-N
ID: 39341
SMILES:C1(c2c(O)cc(CCCC)cc2O)C(C(C)=C)CCC(C=C)(C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -17.16
InChIKey:RGSAYXHHWPKZSX-UHFFFAOYSA-N
ID: 39342
SMILES:C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2)C(C)C2C1C=C(C)C(=O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.572
CB1 binding score: -16.417
InChIKey:UOOSKTJDJKUAJH-UHFFFAOYSA-N
ID: 39343
SMILES:c1(C)cc(O)c2c3c1OC(C)(C)C1C3C=C(C)CCC1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -16.22
InChIKey:UUERAIJTPXQJLQ-UHFFFAOYSA-N
ID: 39344
SMILES:OC1C(C)(C)Oc2c(c(O)cc(CCCCCC)c2)C2C=C(C(O)=O)CCC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -12.799
InChIKey:UXTGFXGBARXLGN-UHFFFAOYSA-N
ID: 39345
SMILES:C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 39346
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(CCCC(C)=C)(C)C(O)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -18.127
InChIKey:VERLVPWHTKBPCN-UHFFFAOYSA-N
ID: 39347
SMILES:O=C(OC)c1c(CCCCC)cc2c(c1O)C1C(C(C)(C)O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -17.122
InChIKey:GHQWHEOOZNZPEX-UHFFFAOYSA-N
ID: 39348
SMILES:C1=C(C)CC2C(C(C)(C)Oc3cc(O)cc(C)c32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -17.35
InChIKey:XAYRLUBHJAOWEN-UHFFFAOYSA-N
ID: 39349
SMILES:Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(CO)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.121
InChIKey:YCBKSSAWEUDACY-UHFFFAOYSA-N
ID: 39350
SMILES:c1(CC(=C)C)cc(O)c(C2C=C(C)CC(C)C2)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: Not available
InChIKey:WRZUIUCBTWHSDD-UHFFFAOYSA-N
ID: 39351
SMILES:C1(C)=C2C(CCC1(O)C(=O)O)c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -15.027
InChIKey:MZHIEXBDNYVXNA-UHFFFAOYSA-N
ID: 39352
SMILES:C1=C(C)CCC=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -19.032
InChIKey:NJSZRBFBYZMAGU-UHFFFAOYSA-N
ID: 39353
SMILES:C1CC=C(C)Cc2c(O)c3c(cc2O)OC(C)(C)C13
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 260.333
CB1 binding score: -14.133
InChIKey:VLGPTLZORNXBHL-UHFFFAOYSA-N
ID: 39354
SMILES:c1(OC)c(O)c2c(cc1CCCCC)C1C(C(C)(C)O2)CCC2(C)C1=CCC(C)=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 410.598
CB1 binding score: -17.662
InChIKey:IZMOARSMZVAUKW-UHFFFAOYSA-N