ID: 39271
SMILES:c12c(c(OC(C)=O)cc(CCCCC)c1)C(CCC)C(C)=CC2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -15.929
InChIKey:RHWFKQKVKBLWNA-UHFFFAOYSA-N
ID: 39272
SMILES:C1(C)CCC2C(=C)C(=O)OC(c3c(O)cc(CCCC)cc3O)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -15.929
InChIKey:NIUSHZCKWCMMPY-UHFFFAOYSA-N
ID: 39273
SMILES:O1C2C3C(C)(C)Oc4cc(C)c(c(O)c4C(C(C)C)CCC(C)=CC12)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -16.117
InChIKey:BKVCDHLCYQJFDN-UHFFFAOYSA-N
ID: 39274
SMILES:c1c(O)cc(C)c2c1OC(C)(C)C1C(CC(C)=CC1)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -16.383
InChIKey:SHROZDXSYZHVFT-UHFFFAOYSA-N
ID: 39275
SMILES:c1(O)c(CCCC)cc(O)c2c1OC1C(CC=C(CCC=C(C)C)C)(C2=O)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.488
CB1 binding score: -16.502
InChIKey:UZTQLUWMQOPJHG-UHFFFAOYSA-N
ID: 39276
SMILES:C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C=C21)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 372.549
CB1 binding score: -16.632
InChIKey:IEYIEGFWSYYNPF-UHFFFAOYSA-N
ID: 39277
SMILES:C(CCc1cc(O)c(C2C=C(CO)CCC2C(=C)C)c(O)c1)CC(C)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -15.434
InChIKey:NPTNBXAKMJOQBL-UHFFFAOYSA-N
ID: 39278
SMILES:c1(CC=C(CCC=C(C)C)COC(=O)CC(C)CC)cc(O)c(C)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -14.498
InChIKey:YCTGPFTYHHQQLC-UHFFFAOYSA-N
ID: 39279
SMILES:C(C)(c1c(O)c(C(=O)O)c(O)c2c1C1C(C(C)(C)O2)CCC(C)=C1)C(=O)O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.405
CB1 binding score: -14.872
InChIKey:MGDNVKYRQKZTPN-UHFFFAOYSA-N
ID: 39280
SMILES:C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(=O)O)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -20.052
InChIKey:YOVRGSHRZRJTLZ-UHFFFAOYSA-N
ID: 39281
SMILES:C1(CO)CCC2C(C1)c1c(O)cc(C)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 276.376
CB1 binding score: -17.033
InChIKey:UEWHWWIJVPMOHD-UHFFFAOYSA-N
ID: 39282
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 39283
SMILES:C(CCc1cc2c(c(O)c1)C1C(O2)C(C)(C)C2OC1(C)CC2)C(OC)OC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -15.517
InChIKey:XKCIFIKOLOMGOX-UHFFFAOYSA-N
ID: 39284
SMILES:C(c1ccc(O)cc1)=CC(=O)Oc1cc(CCCCC)cc2c1OC(C)(C)C1CCC(CO)=CC21
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.613
CB1 binding score: -16.277
InChIKey:FOYXNJMSKHNXFL-UHFFFAOYSA-N
ID: 39285
SMILES:O1C2C3C(C(C(OC)=O)=CC2C(CO)=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c13
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 428.525
CB1 binding score: Not available
InChIKey:USEKVEMLSJVKTP-UHFFFAOYSA-N
ID: 39286
SMILES:C1(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.933
InChIKey:UVOLYTDXHDXWJU-UHFFFAOYSA-N
ID: 39287
SMILES:C12=C(C(C(C)C)=O)C(=O)C13C(O)(C(C)(C)C(=O)C3)Oc1c2c(O)cc(CCCC(O)C)c1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.508
CB1 binding score: -14.534
InChIKey:PABKNMLKMMAHCJ-UHFFFAOYSA-N
ID: 39288
SMILES:CC12CC(=O)C3(C)OC3C1c1c(cc(CCCCC)c(Br)c1)O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 379.294
CB1 binding score: -17.752
InChIKey:IREAYYFWFIEJTO-UHFFFAOYSA-N
ID: 39289
SMILES:C12OCC3(O)C(O)C(O)(CC34C1(O)CC=C1c3c(cc(CCCC)cc3O)OC41)C2(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 444.524
CB1 binding score: -13.778
InChIKey:IJLKELDAOAOSBX-UHFFFAOYSA-N
ID: 39290
SMILES:C1(O)C(O)(C)C2C3C1c1c(cc(CCCCC)cc1O)OC3(C)CCC2C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 402.575
CB1 binding score: -15.374
InChIKey:BTOSZMBCALYIOW-UHFFFAOYSA-N
ID: 39291
SMILES:C=C1C2C(c3c(O)cc(CCCCC)cc3OC2(C)C)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 354.534
CB1 binding score: -16.841
InChIKey:RTTSRWLFTADZPV-UHFFFAOYSA-N