ID: 80998
SMILES:C(CCC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.496
CB1 binding score: -19.964
InChIKey:DMJVNNFBMZZLFB-UHFFFAOYSA-N
ID: 80999
SMILES:CC1=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: 81000
SMILES:c1(CCC)ccc(O)c(C2C(C(C)=C)CCC(C)=C2)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.416
CB1 binding score: -16.449
InChIKey:LKADTOARHRWCAE-UHFFFAOYSA-N
ID: 81001
SMILES:CC1C(C)(CCC(C)CCC(C(C)(C)O)O)Oc2ccc(O)cc2C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 350.499
CB1 binding score: -12.292
InChIKey:CIXGDNHQGLHDMW-UHFFFAOYSA-N
ID: 81002
SMILES:C1=C(C)CC2c3c(O)cc(CCCCC)cc3OC(C(C)(O)C)C12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -16.775
InChIKey:WPAOUMUPWGAVEC-UHFFFAOYSA-N
ID: 81003
SMILES:c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1C2CC(O)(C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.441
CB1 binding score: -16.813
InChIKey:PWXRETMDAHYTOA-UHFFFAOYSA-N
ID: 81004
SMILES:CC12Oc3c(c(O)cc(CCCCC)c3)C3C(C)(CCC3C(C)=C)CC1C(=C)CCC2O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 438.652
CB1 binding score: -15.377
InChIKey:AQMNTXWLTVOALZ-UHFFFAOYSA-N
ID: 81005
SMILES:C12C(C)=CCC1C(C)(C)Oc1c2c(O)ccc1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 230.307
CB1 binding score: -16.036
InChIKey:MYCQOOLSAUSNLQ-UHFFFAOYSA-N
ID: 81006
SMILES:CC1=CC(c2c(O)c(C(=O)O)c(CCC)cc2O)C(C(C)=C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.424
CB1 binding score: -16.324
InChIKey:CZXWOKHVLNYAHI-UHFFFAOYSA-N
ID: 81007
SMILES:C1(C)(CO)C2C(c3c(cc(CCCCC)cc3O)O1)C=C(C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 330.468
CB1 binding score: -19.583
InChIKey:AFSGVVWOXYAPKB-UHFFFAOYSA-N
ID: 81008
SMILES:Cc1ccc2c(c1)-c1c(O)cc(CCCCC)cc1OC(C)(C)C2=O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 338.447
CB1 binding score: -15.381
InChIKey:APZHLNTZURBWCW-UHFFFAOYSA-N
ID: 81009
SMILES:C1=C(C)CCC2C(C)(C)Oc3cc(C)cc(c31)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -18.237
InChIKey:OVUAWOZPBMRGOL-UHFFFAOYSA-N
ID: 81010
SMILES:C(C)=CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(=O)C1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.425
CB1 binding score: -15.758
InChIKey:TXVJZKFZNIAUNZ-UHFFFAOYSA-N
ID: 81011
SMILES:c12c(c(O)cc(CCCCC)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 81012
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C(O)C2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 264.365
CB1 binding score: -19.729
InChIKey:GIIVGKMZIUKMMN-UHFFFAOYSA-N
ID: 81013
SMILES:C12C(C)(Oc3c(c(O)cc(CCC)c3)C1O)C(O)OC(O)C2C1(C)CCC(C(C)=C)C1CCO
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 476.61
CB1 binding score: -14.887
InChIKey:HZQMJBGGNGUVQM-UHFFFAOYSA-N
ID: 81014
SMILES:c1(O)c2c(cc(C(C)(O)CCCCC)c1)OC(C)(C)C1CCC(C)=CC21
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.522
CB1 binding score: -14.832
InChIKey:BUMFXTOOBBBVGY-UHFFFAOYSA-N
ID: 81015
SMILES:O(c1cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 324.464
CB1 binding score: -18.629
InChIKey:YEDIZIGYIMTZKP-UHFFFAOYSA-N
ID: 81016
SMILES:C(C=C(CO)C)CC1(C)CC2c3c(O)cc(CCCCC)cc3OC2(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 386.576
CB1 binding score: -14.888
InChIKey:BAVOTXBFXWNQTF-UHFFFAOYSA-N
ID: 81017
SMILES:CC1=CC2C(=CC(C)(C)C2)c2c(O)cc(CCCCC)cc2O1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.453
CB1 binding score: -16.943
InChIKey:AKZBJKJEPRQCGS-UHFFFAOYSA-N
ID: 81018
SMILES:C1(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -19.815
InChIKey:PCXRACLQFPRCBB-UHFFFAOYSA-N