ID: 100318
SMILES:C1=C(C)C(=O)C=CC(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -15.652
InChIKey:AYWHWRSZQAEJHY-UHFFFAOYSA-N
ID: 100319
SMILES:CC1=C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.524
InChIKey:USODFRMMCODFKQ-UHFFFAOYSA-N
ID: 100320
SMILES:C(CCC)c1cc2c(c(O)c1C=O)OC(C)(C)C1C2C=C(C(=O)O)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.434
CB1 binding score: -14.457
InChIKey:CTZZHRDDDMYMGY-UHFFFAOYSA-N
ID: 100321
SMILES:C1(C)CC(C=O)C2(CC1C)c1c(O)cc(CCCCC)cc1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.969
InChIKey:LSGKEILMYHVJAP-UHFFFAOYSA-N
ID: 100322
SMILES:C1C=C(C)CC2c3c(OC)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.523
CB1 binding score: -16.528
InChIKey:IGECXJSUHBPVHN-UHFFFAOYSA-N
ID: 100323
SMILES:C1=C(C)C=C(O)C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.929
InChIKey:MMDHPLWYAXNJCJ-UHFFFAOYSA-N
ID: 100324
SMILES:c1(CCCC)cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -19.932
InChIKey:YRIJETKCLFDWJX-UHFFFAOYSA-N
ID: 100325
SMILES:O1c2cc(CCCCC)cc(OC)c2C2C(CCC(C)=C1)C2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.565
InChIKey:ZLJYMNCZRWXAQS-UHFFFAOYSA-N
ID: 100326
SMILES:C(CCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(=O)O2)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.972
InChIKey:HSWKOBYUHYMJLK-UHFFFAOYSA-N
ID: 100327
SMILES:C1OC(=O)C2=C1CC1c3c(cc(CCCCC)cc3O1)OC2(CO)C
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.407
CB1 binding score: -15.593
InChIKey:PLNASOVOGZZAPK-UHFFFAOYSA-N
ID: 100328
SMILES:COc1c2c(cc(CCCCC)c1)OC(C)(C)C1C(C2)C(C)CCC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.539
CB1 binding score: -11.986
InChIKey:DLOHABHDUSWIRP-UHFFFAOYSA-N
ID: 100329
SMILES:CC(C1=CCC2(C)C(Cc3c(cc(CCCCC)cc3O)O2)C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -16.502
InChIKey:PXKXWHNQCGBZCC-UHFFFAOYSA-N
ID: 100330
SMILES:O=C(C)OC(C)(C)C1=CC2C3(C=C(C1O)c1c(O)cc(CCCCC)cc1O3)C(C)C(OC(=O)C)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 498.616
CB1 binding score: -14.605
InChIKey:SQQXJVZXVPINES-UHFFFAOYSA-N
ID: 100331
SMILES:C1(C)(C)Oc2c(CCC(CC)OC(=O)c3ccccc3)cc(O)c(C)c2CC1CC=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 450.619
CB1 binding score: -14.455
InChIKey:DYIGGRWEOPCMPQ-UHFFFAOYSA-N
ID: 100332
SMILES:C(Cc1cc(O)c2c(c1)OC(C=CC=C(C)C)C(C)C2)C=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -14.875
InChIKey:OTJMAZIVEPJTSQ-UHFFFAOYSA-N
ID: 100333
SMILES:C1C2(C(C)C)OC(C)(CC2)C(O)Cc2c(O)cc(CCCCC)c(C(OC)=O)c21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 404.547
CB1 binding score: Not available
InChIKey:SNHQELZEWYXTQZ-UHFFFAOYSA-N
ID: 100334
SMILES:C(=C)CC1(C)Cc2c(O)cc(C)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 204.269
CB1 binding score: -13.079
InChIKey:NJBNXZCEDOLIFV-UHFFFAOYSA-N
ID: 100335
SMILES:CC(CC)C(Cc1c2c(ccc1O)OC(C)(C)C1C2C=C(C)CC1)C=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -15.897
InChIKey:QSTUYSVFKZUDSA-UHFFFAOYSA-N
ID: 100336
SMILES:c1c(C)c(O)c2c3c1OC(C)(C)C1C3C(CCC1C)C(C)(O)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -13.778
InChIKey:HXYDYBPZJWYOAO-UHFFFAOYSA-N
ID: 100337
SMILES:Cc1ccc2c(c1)-c1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 100338
SMILES:CC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 360.494
CB1 binding score: -19.234
InChIKey:SEEZIOZEUUMJME-UHFFFAOYSA-N