ID: 31396
SMILES:COc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.348
InChIKey:FJRQDVCLUUZSIG-UHFFFAOYSA-N
ID: 31397
SMILES:c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(OCC=C(C)CCC=C(C)C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 452.679
CB1 binding score: -14.282
InChIKey:NDEOZEMUBYKEAX-UHFFFAOYSA-N
ID: 31398
SMILES:C1(C)C2C(C)(CCC1C)Cc1c(O)c(C(=O)O)c(CCCCC)cc1O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -15.699
InChIKey:NHNGUYOJCSIPJM-UHFFFAOYSA-N
ID: 31399
SMILES:C(c1c(O)c2c(cc1)OC(C)(C)C1C2CC(C)C(O)C1)(O)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 306.402
CB1 binding score: -14.328
InChIKey:RZKABCIJJWOYDV-UHFFFAOYSA-N
ID: 31400
SMILES:C1(C)=CC2C(C(C)(C)Oc3cc(CCC)cc(O)c32)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -19.321
InChIKey:ZROLHBHDLIHEMS-UHFFFAOYSA-N
ID: 31401
SMILES:CC1=CC(c2c(O)cc(C)cc2O)OC1CC(C)=CCCC(O)(C)C#CC1=CC(=O)C=C1C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 448.559
CB1 binding score: -15.929
InChIKey:DQPLQNXXNXWNFD-UHFFFAOYSA-N
ID: 31402
SMILES:Oc1c2c(cc(C=O)c1)C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.344
CB1 binding score: -19.843
InChIKey:PIDMGBLWRCHVIJ-UHFFFAOYSA-N
ID: 31403
SMILES:c1(CCCCC)cc(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: 31404
SMILES:c1(C2C=C(C)CCC2C(C)C)ccc(CCCc2cc(OC)c(O)cc2)cc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.555
CB1 binding score: -14.317
InChIKey:XGCVXWBDSLTGTG-UHFFFAOYSA-N
ID: 31405
SMILES:C(C)CCc1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.443
CB1 binding score: -19.478
InChIKey:UELYWRAKVJEDIL-UHFFFAOYSA-N
ID: 31406
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1(O2)CC=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -15.67
InChIKey:VRADLHYTVCZFAY-UHFFFAOYSA-N
ID: 31407
SMILES:CCCCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 31408
SMILES:CC1(O)CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 348.483
CB1 binding score: -17.774
InChIKey:GKYGKYSJIDSYCQ-UHFFFAOYSA-N
ID: 31409
SMILES:CC(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -18.332
InChIKey:XZWKSKOUODSSCT-UHFFFAOYSA-N
ID: 31410
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -18.189
InChIKey:AIOSXAOKGBOYPS-UHFFFAOYSA-N
ID: 31411
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: 31412
SMILES:C1(C2CCCCC2)(C)C2CCC(C)=CC2c2c(O)cc(CCCCC)cc2O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 382.588
CB1 binding score: -14.555
InChIKey:RCWUKFDEZVTIPZ-UHFFFAOYSA-N
ID: 31413
SMILES:C(C)CCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -19.792
InChIKey:UGRLMQVLYLFVDE-UHFFFAOYSA-N
ID: 31414
SMILES:c1(=O)c(C(C)C(CC)O)cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -14.148
InChIKey:XAEOJHQPNVKULU-UHFFFAOYSA-N
ID: 31415
SMILES:CCCCCc1cc2c(c(O)c1)C1C=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: 31416
SMILES:c1(O)c(C(O)=O)c(CCCCC)cc2c1C1C(C(C)(C)O2)CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.19
InChIKey:GQPGDPTTZDKUSX-UHFFFAOYSA-N