ID: 43450
SMILES:O=C(OC)c1c(C)c(OC)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -14.378
InChIKey:UAQLCXJETNTRNK-UHFFFAOYSA-N
ID: 43451
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C(C(O)(C)C)CCC(C)(O2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 43452
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(O)(C)CCC(C(C)(C)O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 416.602
CB1 binding score: -15.811
InChIKey:BZVFNKFRXYVPHH-UHFFFAOYSA-N
ID: 43453
SMILES:C12c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C)(CCC=C(C)C)C1C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -15.432
InChIKey:TXGMPSUOAZOUQX-UHFFFAOYSA-N
ID: 43454
SMILES:C1(C(C)C)=CC(=O)C2(C)Oc3c(c(OC)cc(CCCCC)c3)C=C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.49
CB1 binding score: -16.079
InChIKey:WOVUGJHCRWPWHZ-UHFFFAOYSA-N
ID: 43455
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1=O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -16.885
InChIKey:ZGTZBRKFZJGQFD-UHFFFAOYSA-N
ID: 43456
SMILES:C1C(C)(C)C2=C(C(=O)C3C=C(C)CCC3C(C)(C)O2)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.404
CB1 binding score: -15.21
InChIKey:GJJWCILELYWVOU-UHFFFAOYSA-N
ID: 43457
SMILES:C1(C)=CCC2C3(C)C(c4ccc(C)cc41)Oc1cc(CCCCC)cc(OCC)c1C3OC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 446.631
CB1 binding score: -13.283
InChIKey:IMQZVYADPNFXNX-UHFFFAOYSA-N
ID: 43458
SMILES:C1(=O)CC(C)(C)C(c2c(O)cc(CCCCC)cc2)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -16.015
InChIKey:XJEVXILCHWPGAZ-UHFFFAOYSA-N
ID: 43459
SMILES:Oc1c2c(cc(CCCCC)c1O)OC(C)(C)c1c2cccc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -14.874
InChIKey:GVDGKKPMELQSEB-UHFFFAOYSA-N
ID: 43460
SMILES:c1(O)cc2c(cc1CCCCC)OC(C)(C)C1CC=C(C)C(O)C21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.588
InChIKey:BWJAHASBLBQDSN-UHFFFAOYSA-N
ID: 43461
SMILES:C1C(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -18.821
InChIKey:CUWJKLPAOPPJHN-UHFFFAOYSA-N
ID: 43462
SMILES:C(C1C2c3c(cc(CCCCC)cc3OC2(C)C)C=C1C)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.535
CB1 binding score: -16.354
InChIKey:XNOWYGCQTFEUTG-UHFFFAOYSA-N
ID: 43463
SMILES:C1C(C)(C)C2C(O)c3c(cc(CCCCC)cc3O)OC2(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.96
InChIKey:DDIVQORSYYKRDX-UHFFFAOYSA-N
ID: 43464
SMILES:C123C4(CCCC4CC(C)(C)CC1CC1C2C(c2c(cc(CCCCC)cc2O)O1)O)C3C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -14.324
InChIKey:GUQWRGHBOOWGGI-UHFFFAOYSA-N
ID: 43465
SMILES:CC(C)=CCCC(C)=CCCC(C)(O)C1Cc2c(cc(O)cc2C)O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -17.705
InChIKey:RUPWNCNTPLCLOH-UHFFFAOYSA-N
ID: 43466
SMILES:O1c2c(cc(CCCCC)cc2O)CC(C)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -16.344
InChIKey:GEVYZCYCIJUGJL-UHFFFAOYSA-N
ID: 43467
SMILES:c12c(ccc(O)c1)-c1c(cc(CCCCC)cc1O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -17.593
InChIKey:UNOQCTWVPMOBTA-UHFFFAOYSA-N
ID: 43468
SMILES:CC1(C)Oc2c(c(O)cc(CC=C)c2O)C2C1CCC(C)=C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.398
CB1 binding score: -16.935
InChIKey:WCWCWBRCSCFYHI-UHFFFAOYSA-N
ID: 43469
SMILES:C(CC)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C(O)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.646
InChIKey:NENBWWGFUBFEAD-UHFFFAOYSA-N
ID: 43470
SMILES:C1C(C)(C)C2C(C)(CC1)Oc1c(CO)c(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.179
InChIKey:WTVBVUHZMQSNAR-UHFFFAOYSA-N