ID: 31312
SMILES:C12(C)CCCC3=C1C(C2)c1c(O)cc(CCCCC)cc1O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.426
CB1 binding score: -15.766
InChIKey:AQAKSWVGHIVZQK-UHFFFAOYSA-N
ID: 31313
SMILES:c1c2c(cc(CCCCC)c1)OC(C)(C)c1ccc(C)cc1-2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 294.438
CB1 binding score: -18.455
InChIKey:AKZMYJAEOJLEIA-UHFFFAOYSA-N
ID: 31314
SMILES:C1([N+]#[C-])c2c(cc(CCCCC)cc2O)OC2(C(C)CCC3C2(C)CCC(=O)C(C)(C)O3)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 453.623
CB1 binding score: -14.27
InChIKey:SKPXVHKISPSWTI-UHFFFAOYSA-N
ID: 31315
SMILES:C1C(C)(C)C2(O)C(CC(C)=C1)c1c(cc(CCCCC)cc1OC)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -16.32
InChIKey:XJLGTRPWJQKGNR-UHFFFAOYSA-N
ID: 31316
SMILES:C(C(C)=C(C)C)c1c(O)cc(CCCCC)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 262.393
CB1 binding score: -14.539
InChIKey:CDOZRVGRCSZXHL-UHFFFAOYSA-N
ID: 31317
SMILES:C(CCCC(c1cc2c(c(O)c1)C1CC(C)CCC1C(C)(C)O2)c1c2c(ccc1)OCO2)=CCCC
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.684
CB1 binding score: -12.9
InChIKey:NCZQNWMTZAYUPG-UHFFFAOYSA-N
ID: 31318
SMILES:Oc1c(CC=C(C)CCC=C(C)C)c(O)c(C=O)c(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids;Tetraketide meroterpenoids
MW: 344.495
CB1 binding score: -19.069
InChIKey:ROXSKQXJGMFFHX-UHFFFAOYSA-N
ID: 31319
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)C1CC=C(C)C1C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -19.723
InChIKey:WKFVIMFNRJVSJG-UHFFFAOYSA-N
ID: 31320
SMILES:CN(CC1C2C(OC1C=C(C)C)OC1=C(CCOC(=O)C)C(=O)C1C2)Cc1cc(OC)ccc1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 469.578
CB1 binding score: -17.559
InChIKey:QSFHUXZCMQHHLI-UHFFFAOYSA-N
ID: 31321
SMILES:C(Cc1cc(O)c(C(=O)O)c2c1OC(C)(C)C1CCC(C(=O)O)=CC12)C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.459
CB1 binding score: -14.744
InChIKey:QOQQHSFXDBZQHX-UHFFFAOYSA-N
ID: 31322
SMILES:CC1CCc2c(cc(CCCCC)cc2O)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 234.339
CB1 binding score: -17.812
InChIKey:MGEGNKXUIQHAJB-UHFFFAOYSA-N
ID: 31323
SMILES:C(CCCC)c1cc(O)c2c3c1OC1(C)CC3C(CC(C)(C)O1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -15.929
InChIKey:VCGYOPPYEGSFNG-UHFFFAOYSA-N
ID: 31324
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2CC(C)(O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -20.807
InChIKey:KSGRDIFQZVURIF-UHFFFAOYSA-N
ID: 31325
SMILES:C1(C(C)=C)C(c2cc(CCN(C)C)ccc2OC)C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 313.485
CB1 binding score: -18.294
InChIKey:GJDVDGGMUGCJGX-UHFFFAOYSA-N
ID: 31326
SMILES:C=C(C)C1C(c2c(O)cc(CCCCC)c(OC)c2OC)C2(C)C(C2)c2c(O)cc3c(c2O1)CC(CC=C(C)C)C3(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 588.829
CB1 binding score: -15.807
InChIKey:FJWCHGIMUXCJHD-UHFFFAOYSA-N
ID: 31327
SMILES:Oc1c(CCCCC)cc2c(c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.834
InChIKey:XPLQNXRZESLCTJ-UHFFFAOYSA-N
ID: 31328
SMILES:C(CCc1cc(O)c2c(c1)OC(C)(C)C1(O)CCC(C)=CCCC(C)CC21)CC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 440.668
CB1 binding score: -15.358
InChIKey:MLUURJPCWBIOPK-UHFFFAOYSA-N
ID: 31329
SMILES:CC1(C)Oc2c(c(O)cc(CCCCCCCCCCCCC)c2)-c2c1c1c(cc2)cccc1CO
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 488.712
CB1 binding score: -14.254
InChIKey:MEYUIIWXTLKKLD-UHFFFAOYSA-N
ID: 31330
SMILES:C1=C(C)C23CC2c2c(cc(CCCCC)cc2O)OC(C)(C)C1C3
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -17.042
InChIKey:COYGHASJOQEFEY-UHFFFAOYSA-N
ID: 31331
SMILES:Oc1c(C=O)c(CCCCC)cc(O)c1C12C(=O)C3=CC(C)(C)CC1=C(C)C3CC(=C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 434.576
CB1 binding score: Not available
InChIKey:IWUPCMUQJLQIEL-UHFFFAOYSA-N
ID: 31332
SMILES:c1(O)c2c(cc(CCC(O)(C)C=C)c1)OC(C1=CCC(C(C)(O)C)OC1)(C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 388.504
CB1 binding score: -12.717
InChIKey:OYOWRBWQHVNYKV-UHFFFAOYSA-N