ID: 122599
SMILES:C1C2(C)Oc3cc(C)cc(O)c3C(C2)C(C(C)=C)C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 258.361
CB1 binding score: -18.387
InChIKey:VVRJCBBASZRUGL-UHFFFAOYSA-N
ID: 122600
SMILES:c1(O)cc(CCCCC)cc2c1C1CC(C)(O2)CCCC1(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -17.117
InChIKey:RGKXCVPSDXOLBG-UHFFFAOYSA-N
ID: 122601
SMILES:C(C(=O)Oc1c(CCCCC)cc2c(c1)C1C(C(C)(C3Cc4cc(C)c(C)cc4OC3O)OC1OC)O2)C(C)=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 550.692
CB1 binding score: -10.862
InChIKey:CZUSBBHEYSTVGE-UHFFFAOYSA-N
ID: 122602
SMILES:C(CCc1cc(O)c2c(c1CC=C(C)C)OC(C)(C)C1CCC(C)=CC12)C(=O)c1ccccc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 458.642
CB1 binding score: -12.743
InChIKey:LKDCEFDWROQZKU-UHFFFAOYSA-N
ID: 122603
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 122604
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C=CC(C)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.32
InChIKey:WWYMYGIVLCKTBL-UHFFFAOYSA-N
ID: 122605
SMILES:O=C(OCCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(COC(C)=O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.487
CB1 binding score: -12.846
InChIKey:WGXZXULTNWUMSV-UHFFFAOYSA-N
ID: 122606
SMILES:c1c(CCCCC)c2c(c(O)c1)OC(C)(CCC=C(C)C)C=C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.754
InChIKey:MMSQHKJESLXKKE-UHFFFAOYSA-N
ID: 122607
SMILES:CC(C)=CCCC(O)(C)C=Cc1c(O)cc(CCCCC)cc1OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.511
CB1 binding score: -17.034
InChIKey:QASRARIFUBVEMD-UHFFFAOYSA-N
ID: 122608
SMILES:c1(C2C=C(C)CCC2C(C(=O)O)(C)C)c(O)cc(CCCCC)cc1O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -16.534
InChIKey:UYSWWNDENDZMTM-UHFFFAOYSA-N
ID: 122609
SMILES:Oc1cc(CCCCC)cc2c1C1C(C(C)CO)CCC1(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.457
CB1 binding score: -17.012
InChIKey:VEHWLGBLVHIFQL-UHFFFAOYSA-N
ID: 122610
SMILES:CC12CC(O)C(C(C)C)(O1)Oc1c2c(OC)cc(CCCCC)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 334.456
CB1 binding score: -15.546
InChIKey:YDMKCVJCSRDLLF-UHFFFAOYSA-N
ID: 122611
SMILES:CC(C)(O)C(O)COc1c(OC)c2c(cc1)OC(C)(C)C1C2=C(C(C)OCC)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 420.546
CB1 binding score: -14.55
InChIKey:PISXJRWBPUPGOP-UHFFFAOYSA-N
ID: 122612
SMILES:CCC(O)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -16.378
InChIKey:LVSKHZUBVUHZTG-UHFFFAOYSA-N
ID: 122613
SMILES:C(CCCC)c1cc2c(c(O)c1)C1C(=O)C(CC=C(C)C)(C(C)(C)C(CC=C(C)C)C1)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Polyprenylated cyclic polyketides (Hop meroterpenoids)
MW: 438.652
CB1 binding score: -16.317
InChIKey:DDIBMDJJRNGYLF-UHFFFAOYSA-N
ID: 122614
SMILES:C12C(C)(C)Oc3cc(CCCCCC)cc(O)c3C1C(C(=C)C)CCC2C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.577
CB1 binding score: -15.837
InChIKey:XZNTWECVKAHAIC-UHFFFAOYSA-N
ID: 122615
SMILES:C(CC)CCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.427
InChIKey:QHMBSVQNZZTUGM-UHFFFAOYSA-N
ID: 122616
SMILES:C(C(=O)CC(C)=CCc1c(O)cc(C(O)CCCCCCCC)cc1O)=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 402.575
CB1 binding score: -15.692
InChIKey:UHRRXKMFZWGBLS-UHFFFAOYSA-N
ID: 122617
SMILES:O(C1=CC(C)=CCC1)c1c(OC(C)=O)cc(CCCCC)cc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: Not available
InChIKey:RKKVDQWJMNPNOP-UHFFFAOYSA-N
ID: 122618
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -20.649
InChIKey:ZHYPKENABBMAAN-UHFFFAOYSA-N
ID: 122619
SMILES:c1cc(C(=O)O)cc2c1-c1c(cc(CCCC)cc1O)OC2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.392
CB1 binding score: -13.998
InChIKey:RYJFJSGCVMRMQE-UHFFFAOYSA-N