ID: 44038
SMILES:CC1=CCCC(C)=CCC2C(C)(C)Oc3cc(CCCCC)c(C(OC)=O)c(O)c3C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 454.651
CB1 binding score: -16.483
InChIKey:NKNLBFAKTORKRZ-UHFFFAOYSA-N
ID: 44039
SMILES:O(c1c(CCCCC)cc2c3c(cc(CO)cc31)OC(C)(C)C1CCC(O)(C)C21)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 412.57
CB1 binding score: -13.429
InChIKey:HHDVMBNNNWSEQY-UHFFFAOYSA-N
ID: 44040
SMILES:CC(=CCCC(C)=CCc1c(O)c(C(OC)=O)c(CCCCC)c(O)c1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.521
CB1 binding score: -17.721
InChIKey:GSKFGOCWICCZJN-UHFFFAOYSA-N
ID: 44041
SMILES:CC(C)=CCC1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -15.934
InChIKey:MQAGGQVCIVDYIW-UHFFFAOYSA-N
ID: 44042
SMILES:c12c(O)cc(CCCCC)cc1OC(C)(C)c1ccc(C)cc1-2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 44043
SMILES:C12(C)C3C(c4c(cc(CCCCC)cc4O)O1)C=C(C)C3OC2=O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.408
CB1 binding score: -15.2
InChIKey:PYNJGHKVRKWNCI-UHFFFAOYSA-N
ID: 44044
SMILES:C(c1cc(O)c(CC=C(CCC=C(C)C)C)c(O)c1)CCN
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 303.446
CB1 binding score: -16.299
InChIKey:SGDNZYPCTZRWAT-UHFFFAOYSA-N
ID: 44045
SMILES:C1C(=O)CC2=C1Cc1c(O)cc(CCCCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -19.06
InChIKey:PKQPMTIFWXSGHU-UHFFFAOYSA-N
ID: 44046
SMILES:C1(C)=CC(c2c(OC)ccc(CC[N+](O)(C)C)c2)C(C(C)=C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.492
CB1 binding score: -17.083
InChIKey:APHOZERXLQQVOV-UHFFFAOYSA-N
ID: 44047
SMILES:c1c(CC=C(CCC=C(C)C)C)c(O)ccc1CCCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 44048
SMILES:C1(C)CCC2C(C1)C(C)(C)Oc1c2c(O)cc(CCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 288.431
CB1 binding score: -16.916
InChIKey:SNGYRQFLQBUZMI-UHFFFAOYSA-N
ID: 44049
SMILES:CC1=CC(O)CC(C)=CC2C(C(C)(C)Oc3ccc(O)cc32)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -15.491
InChIKey:HBZVYPHIKDEWLL-UHFFFAOYSA-N
ID: 44050
SMILES:C(CC)Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 302.458
CB1 binding score: -18.479
InChIKey:QHFVULIOBFWRAD-UHFFFAOYSA-N
ID: 44051
SMILES:CC(C1=C(C)CCC2C(C)(C)Oc3c(c(OC)cc(CCCCC(O)C)c3)C2C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 414.63
CB1 binding score: -15.707
InChIKey:ZHOQMGYBCJAXQQ-UHFFFAOYSA-N
ID: 44052
SMILES:CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 44053
SMILES:CC1C2C(C(C)=C)Oc3c(c(O)cc(CCC)c3)C2C(=O)CC1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -13.16
InChIKey:XHWGFTKDSQIFMX-UHFFFAOYSA-N
ID: 44054
SMILES:Oc1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 310.437
CB1 binding score: -19.554
InChIKey:VBGLYOIFKLUMQG-UHFFFAOYSA-N
ID: 44055
SMILES:c1(C)c(-c2c(O)cc(CCCCC)cc2O)c(O)c2c3c1OC(C(C)(C)O3)CC2CCC=C(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 480.645
CB1 binding score: -14.567
InChIKey:CIDRQFCURYSLGJ-UHFFFAOYSA-N
ID: 44056
SMILES:c1(OC(=O)C)c(C2(O)C(C(C)=C)C(c3cc(CCN(C)C)ccc3OC)C=C(C(OC)=O)C2)cccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 507.627
CB1 binding score: -17.823
InChIKey:VULKHAFKCWUXAE-UHFFFAOYSA-N
ID: 44057
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: 44058
SMILES:CC(C1CCC(C)=CC1c1c(O)cc(CCCCCC)cc1O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.015
InChIKey:OXSPOWSHOUTZHF-UHFFFAOYSA-N