ID: 105358
SMILES:Oc1cc(CCCCC)cc2c1C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 105359
SMILES:C(CCc1cc(O)c2c(c1)CC1C2=C(C(C)CCC=C(C)C)CCC1C)CC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 380.616
CB1 binding score: -15.924
InChIKey:JUPPZSGNFNRVQN-UHFFFAOYSA-N
ID: 105360
SMILES:c1(C2C(C(=C)C)CCC(C)=C2)cc(O)c(CC=C(C)C)cc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 296.454
CB1 binding score: -15.514
InChIKey:FITXLFPJLVDZNZ-UHFFFAOYSA-N
ID: 105361
SMILES:CC1=C2C(C)(C(c3c(O)cc(O)cc3CCCCC)C1)CCC(C(=C)C)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 368.561
CB1 binding score: -14.605
InChIKey:ZRRKVOSKJJZMLO-UHFFFAOYSA-N
ID: 105362
SMILES:C=C(C1CCC(C)=CC1c1c(O)cc(CCCCCO)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -18.184
InChIKey:ZKGKOAJUWMGRFB-UHFFFAOYSA-N
ID: 105363
SMILES:C1=C(C(O)=O)C(CC(=O)c2c(O)cc(CCCCC)cc2)C(C)(C)CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -15.107
InChIKey:KZFVBDOJHJXCPL-UHFFFAOYSA-N
ID: 105364
SMILES:O1c2cc(CCC)cc(O)c2C2C=C(CCC=C(C)C)CCC2C1=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.491
CB1 binding score: -15.239
InChIKey:ULLUOSJLCOIEMM-UHFFFAOYSA-N
ID: 105365
SMILES:C1(=C(C)C)C(O)CC2(C)C1Cc1c(cc(CCC)cc1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.414
CB1 binding score: -16.451
InChIKey:URKRQNMLXBSJGV-UHFFFAOYSA-N
ID: 105366
SMILES:c1c(O)c(CC=C(C)C(CC=C(C)C)O)c(O)cc1CCCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.334
InChIKey:PXMMOISCSOLPFY-UHFFFAOYSA-N
ID: 105367
SMILES:C(C=C(CCC=C(C)C)C)c1c(O)cc(CCCCC)c(C(CC(C)C)=O)c1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 400.603
CB1 binding score: -17.107
InChIKey:KVECBGCKBOQMLH-UHFFFAOYSA-N
ID: 105368
SMILES:C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C2C(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.302
InChIKey:GYADAKWPNOPPAL-UHFFFAOYSA-N
ID: 105369
SMILES:C1CC(C)(O)C2C1c1c(cc(C(CCC)C)cc1O)OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cannabinoids;Guaiane sesquiterpenoids
MW: 318.457
CB1 binding score: -16.326
InChIKey:VIEOELCGHPNYRA-UHFFFAOYSA-N
ID: 105370
SMILES:Fc1c(CCCCC)cc2c(c1O)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.459
CB1 binding score: -13.298
InChIKey:MCGJQURYQBGTSJ-UHFFFAOYSA-N
ID: 105371
SMILES:C(=C)(C1C2Oc3c(c(O)cc(C(OC)=O)c3C)CCOC(=O)C(C)=CC(C1)c1c(O)cc(c(CCCC)c1)C2=O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 562.659
CB1 binding score: -16.076
InChIKey:CUSNZVXYHBYDOH-UHFFFAOYSA-N
ID: 105372
SMILES:C(Cc1c(O)cc(C)c2c1C1C(C(C)(C)O2)C(=O)C(C)=C(O)C1=O)C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.461
CB1 binding score: -14.561
InChIKey:YTMNSQOBDGJMKQ-UHFFFAOYSA-N
ID: 105373
SMILES:CC(C)=CCCC1=CC(OC)(c2c(O)cc(O)cc2C)OC1c1cc2c(c(OC)c1OC)CCC(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 524.654
CB1 binding score: -14.846
InChIKey:UKBYNDKOVGLTQU-UHFFFAOYSA-N
ID: 105374
SMILES:CC1C2(C)cOc3cc(CCCCC)cc(OC)c3C2C(O)C(C)(C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.51
CB1 binding score: -14.553
InChIKey:OAFPPNLRSWVEJC-UHFFFAOYSA-N
ID: 105375
SMILES:c12cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 105376
SMILES:OC1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C2C(C1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -17.62
InChIKey:ABLDVOWUNLAOQL-UHFFFAOYSA-N
ID: 105377
SMILES:Oc1c(C(CC(C)C)=O)cc2c(c1O)-c1cc(C)ccc1C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.419
CB1 binding score: -15.369
InChIKey:BJHXBTGCPQBXDV-UHFFFAOYSA-N
ID: 105378
SMILES:CC(Cc1cc(O)c2c(c1)CCC1C3(C)C(C(C)(C)OC(=O)C=C3)CCC12C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 396.571
CB1 binding score: -14.621
InChIKey:DIYIXGCCJNWFGT-UHFFFAOYSA-N