ID: 67012
SMILES:CC(CCC=C(C)C)(C#Cc1c(O)cc(CCCCC)cc1O)C=C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -16.161
InChIKey:SAHCJSMPUJXHAG-UHFFFAOYSA-N
ID: 67013
SMILES:C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)(=O)C(O)=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.38
CB1 binding score: -16.491
InChIKey:KSDRGQLTDPBKAN-UHFFFAOYSA-N
ID: 67014
SMILES:C(C=C(C)C)CC(C)CC(O)CC1=CC(c2c(O)c(C=O)c(C)cc2O)C(C(=C)CCC=C(C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 508.743
CB1 binding score: -16.458
InChIKey:COXTYEMYBHBXLO-UHFFFAOYSA-N
ID: 67015
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 67016
SMILES:c12cc(OC)cc(C)c1OC(C)(C)C1C2C=C(C)CC1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 272.388
CB1 binding score: -17.943
InChIKey:LHUARNLIWOUCMV-UHFFFAOYSA-N
ID: 67017
SMILES:Oc1ccc(C2C=C(C)CCC2C(=C)C)c(O)c1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 244.334
CB1 binding score: -20.171
InChIKey:HFDMGJLGHZDMNB-UHFFFAOYSA-N
ID: 67018
SMILES:c1(O)cc(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: 67019
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C(O)CC(C)=CC21O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -17.123
InChIKey:LKWOHXXSTIPCQR-UHFFFAOYSA-N
ID: 67020
SMILES:C1(=O)CC2(C)C3C(C)=CC2C2C(C)(C1)Oc1cc(C)cc(O)c1C23
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.42
CB1 binding score: -12.999
InChIKey:RTVXQPVRGUYLKG-UHFFFAOYSA-N
ID: 67021
SMILES:C(=O)(Oc1c2c(cc(C)c1)OC(C)(C)C1C2C(O)C(C)(O)CC1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -18.933
InChIKey:RYXSAPDLXONMNE-UHFFFAOYSA-N
ID: 67022
SMILES:C1(C)=CC(c2ccc(CCCCC)cc2)C(C(=C)C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 282.471
CB1 binding score: -19.804
InChIKey:VGBLUPCGCQUYRW-UHFFFAOYSA-N
ID: 67023
SMILES:C(Cc1cc2c(c(O)c1)C1(C)C(C(C)(C)CCC1)CC2)CCCCCCCC
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 384.648
CB1 binding score: -15.202
InChIKey:UKOAFJXEIPLMEJ-UHFFFAOYSA-N
ID: 67024
SMILES:ON1C2C(=CC=C(C)C1)C(C)(CCC=C(C)C)Oc1cc(CCCCC)ccc12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 395.587
CB1 binding score: -15.805
InChIKey:FHXWIAVEBRUWNQ-UHFFFAOYSA-N
ID: 67025
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)(O2)CCC1C(O)(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.841
InChIKey:UKPNRAMYBFBWKV-UHFFFAOYSA-N
ID: 67026
SMILES:C(Cc1cc(OC)c2c(c1O)OC1(C)CCC3C(C)(CCC(C(C)C)O3)C3C1c1c(cc(C)cc1O)OC32)CC(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 578.79
CB1 binding score: -16.251
InChIKey:SOBIXDAMJFNHHE-UHFFFAOYSA-N
ID: 67027
SMILES:c1c(O)c(C(=O)CC=CC)c2c(c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.436
CB1 binding score: -13.261
InChIKey:NDHZQLLNYHLHOY-UHFFFAOYSA-N
ID: 67028
SMILES:C1(C(C)(C(=O)C(C)C)c2cc(O)c(C)c(O)c2)C=CC2(CC1)C(CCC1C(C)(C)O1)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 442.596
CB1 binding score: -15.827
InChIKey:DGKJVUMPVBRVQA-UHFFFAOYSA-N
ID: 67029
SMILES:C(CC=C(C)C)C(=CCCC1(C)Oc2c(c(O)c(C(=O)O)c(CCCCC)c2)C=C1)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 426.597
CB1 binding score: -17.872
InChIKey:PIWDPVFUVKGKSR-UHFFFAOYSA-N
ID: 67030
SMILES:CC(CC(=O)c1cc(O)c(C2C=C(C)CCC2C(C)C)c(CC=C(C)C)c1O)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 398.587
CB1 binding score: -15.156
InChIKey:IWAJLXRHTQONJJ-UHFFFAOYSA-N
ID: 67031
SMILES:C1=C(C=O)CCC2C(C)(C)Oc3c(c(O)cc(O)c3C(C)C(CC)=CC)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 370.489
CB1 binding score: -12.141
InChIKey:OJBYFANSUNIKMM-UHFFFAOYSA-N
ID: 67032
SMILES:c1c(CCCCC)cc(C2C=C(C)CC(c3cc(CCN(C)C)ccc3OC)C2C(=C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 459.718
CB1 binding score: -15.29
InChIKey:QAMRXUMFQNGTHZ-UHFFFAOYSA-N