ID: 111364
SMILES:Oc1c2c(c(O)cc1CCC)CC(OC(=O)C)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.347
CB1 binding score: -14.172
InChIKey:AKDKUZLYNIYRAK-UHFFFAOYSA-N
ID: 111365
SMILES:C(F)(F)(C(Oc1c(C)cc(O)c(CC=C(CCC=C(C)C)C)c1)=O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 352.421
CB1 binding score: -14.041
InChIKey:BGVUVKRAYQZASC-UHFFFAOYSA-N
ID: 111366
SMILES:C(C=C(C)C)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C=O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -15.634
InChIKey:XLFOCRWEEXIYGD-UHFFFAOYSA-N
ID: 111367
SMILES:CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -19.026
InChIKey:FJVJQPVMJALOMF-UHFFFAOYSA-N
ID: 111368
SMILES:C(=CCCC(=CCc1c(O)cc(CCCCCC)cc1O)C)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.512
CB1 binding score: -17.784
InChIKey:QPUHYZGLKQWEKI-UHFFFAOYSA-N
ID: 111369
SMILES:C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N
ID: 111370
SMILES:c12c(c(O)cc(CCC(C(O)=O)O)c1)C1C(=CC(=O)C3(C2C)C1CC=C(C)C)OCC3C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.536
CB1 binding score: -14.33
InChIKey:XWUMBHGWVYAAOZ-UHFFFAOYSA-N
ID: 111371
SMILES:CC(CCCC(=CCc1c(O)cc(CCC)cc1O)C)(C)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.474
CB1 binding score: -15.593
InChIKey:YWGSAPDELSZNBM-UHFFFAOYSA-N
ID: 111372
SMILES:C(CCCc1cc2c3c(c1C)OC1(C)CCC(C(C)(C)O2)CC31)CC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -13.749
InChIKey:FPZJNRXFQKEFOD-UHFFFAOYSA-N
ID: 111373
SMILES:C(=CC(O)C)C(c1cc(O)c(C2C(O)C(C)(C)OC(C)(C)C(O)C2)cc1O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.508
CB1 binding score: -13.878
InChIKey:LHFQHEICTYGHHU-UHFFFAOYSA-N
ID: 111374
SMILES:C1C(O)C(C)=CC2c3c(ccc(CCCCC)c3)OC(C)(C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -17.577
InChIKey:LHWLFYGKRIKNPZ-UHFFFAOYSA-N
ID: 111375
SMILES:Brc1c2c(c(O)cc1CCCCC)OC(C)(C)C1C=CC(C)CC21
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 393.365
CB1 binding score: -16.164
InChIKey:MNLYCGUZEKUHKE-UHFFFAOYSA-N
ID: 111376
SMILES:c1c(C)cc(OC)c(OC)c1CC=C(CCC1(C(=C)C)C=C(C)CCC1C)CO
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.607
InChIKey:ONMLZAJKRPYZJR-UHFFFAOYSA-N
ID: 111377
SMILES:CC1(C)C2CC=C(C)CC2c2c(cc(CCc3ccccc3)cc2O)O1
Pathway: Shikimates and Phenylpropanoids;Terpenoids
Superclass: Meroterpenoids;Stilbenoids
Class: Cannabinoids;Monomeric stilbenes
MW: 348.486
CB1 binding score: -17.817
InChIKey:AAVGZFGYDPFYEH-UHFFFAOYSA-N
ID: 111378
SMILES:CC(=CCc1c(O)c(OC(C)=O)cc(CCCCC)c1)C(CC=C(C)C)=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.505
CB1 binding score: -16.119
InChIKey:WLPAUSDDQFOTFP-UHFFFAOYSA-N
ID: 111379
SMILES:C1C(C)=CCCC2(C)Oc3cc(CCCCC)cc(O)c3C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -17.792
InChIKey:WHYWQKKPJPKIAC-UHFFFAOYSA-N
ID: 111380
SMILES:C(CCCC)c1cc2c(c(O)c1)C1(O)C(O)(C(C)=CC3C(C(C)C)CCC(C)=C3C1)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 438.608
CB1 binding score: -14.545
InChIKey:ATFKOMYQABORTC-UHFFFAOYSA-N
ID: 111381
SMILES:C1C(C)(C)Oc2c(c(O)cc(CCC)c2)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 220.312
CB1 binding score: -17.772
InChIKey:YVGFJIKWCMZZAS-UHFFFAOYSA-N
ID: 111382
SMILES:c1(O)c(CC2C(C)=CCCC2(C)C)c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.334
InChIKey:VDPDPHQVGIIDIH-UHFFFAOYSA-N
ID: 111383
SMILES:c12c(OC(C)=O)cc(CCCCC)cc1C1(C)C(=O)C3C(O)(C)C(O)(C1Oc1c4c(c(C)cc1OC)OC(C)(C)CC4=C3)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 606.712
CB1 binding score: Not available
InChIKey:NFXQVQPGMYIHSW-UHFFFAOYSA-N
ID: 111384
SMILES:c12c(O)c(O)cc(CCCCC)c1C1C=C(C)CCC1C(C=C1C=C(C)C(=O)O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.538
CB1 binding score: -13.457
InChIKey:QYJNOFYGTUDWCG-UHFFFAOYSA-N