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Molecule Identifiers
Molecular Properties

ID: 118882

SMILES:
C(CCc1cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -13.906

InChIKey:
VLIUWFYJNSTTQW-UHFFFAOYSA-N

ID: 118883

SMILES:
O(C)c1cc(C)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.284

InChIKey:
PTEGQFOMOTXOIF-UHFFFAOYSA-N

ID: 118884

SMILES:
COc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.88

InChIKey:
QPJZATIMFVDWEL-UHFFFAOYSA-N

ID: 118885

SMILES:
C12C(C)(Oc3cc(CCCCC)cc(O)c3C1)CCC(=O)C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 330.468

CB1 binding score: -17.564

InChIKey:
AGIQPPINJINQGR-UHFFFAOYSA-N

ID: 118886

SMILES:
C(Cc1c(O)c2c(cc1CCCCC)OC(C)(C)C1=CC(C)CC(C=C(C)C)C12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.642

CB1 binding score: -18.471

InChIKey:
BZUMOCHZJHJBHJ-UHFFFAOYSA-N

ID: 118887

SMILES:
C(C(C)C)c1cc(O)c2c(c1)OC(C)(C)C1C(C2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -14.842

InChIKey:
SULNBMUOSGLMCW-UHFFFAOYSA-N

ID: 118888

SMILES:
C(=C)(C1C(c2c(O)cc(CCCCC)cc2O)C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 118889

SMILES:
C1(O)=CC(C)(CCC=C(C)C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.108

InChIKey:
HLODMSQJLMGIME-UHFFFAOYSA-N

ID: 118890

SMILES:
C(CCc1c(OC)ccc2c1C=CC(CCC=C(C)C)(C)O2)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -14.444

InChIKey:
OPHBWJCVJIJLJB-UHFFFAOYSA-N

ID: 118891

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(O)CC1)CCCCCCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 498.792

CB1 binding score: -15.842

InChIKey:
WTVDUPQGZYSDCQ-UHFFFAOYSA-N

ID: 118892

SMILES:
C1c2cc(C)cc(O)c2C2(CC(=O)C(C)(C)O2)C=C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.316

CB1 binding score: -13.664

InChIKey:
FLHONSBULKIOEP-UHFFFAOYSA-N

ID: 118893

SMILES:
C(c1c(O)cc(COC(CCCCCCC)=O)c2c1C1CC(C(C)(C)O)CCC1(C)O2)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.666

CB1 binding score: -15.12

InChIKey:
XUIKHFJTKZVLTQ-UHFFFAOYSA-N

ID: 118894

SMILES:
c1(C)cc(O)c2c(c1)OC(c1ccccc1)C(C(O)C1C=C(C)CCC1C(=C)C)(C(=O)OC)C2C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 516.678

CB1 binding score: -13.97

InChIKey:
JYWWJIWZAGSLLY-UHFFFAOYSA-N

ID: 118895

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C(=O)CC1(C)CCC=C(C)CCC=C1COC(=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.58

CB1 binding score: -14.216

InChIKey:
JCQOCJVMEYIBJX-UHFFFAOYSA-N

ID: 118896

SMILES:
Oc1c(CC=C(CCC=C(CCC=C(C)CO)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 400.603

CB1 binding score: -17.729

InChIKey:
WZDUUHXKANYACO-UHFFFAOYSA-N

ID: 118897

SMILES:
C12(O)C3C(C)(O3)CCC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.038

InChIKey:
LSOMWQGVZWSFIP-UHFFFAOYSA-N

ID: 118898

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C=C12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.296

InChIKey:
FZAGTOJLWTUWJG-UHFFFAOYSA-N

ID: 118899

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.233

InChIKey:
LXSFNMQURHTPIT-UHFFFAOYSA-N

ID: 118900

SMILES:
c1(CC2C(C(=C)C)CC(O)C(C)=C2)c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.363

InChIKey:
DJSQAQRWGSJLKR-UHFFFAOYSA-N

ID: 118901

SMILES:
C1C2C(C1)C(C)(C)Oc1cc(C(C)=O)c(CCC)cc12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -14.98

InChIKey:
HBAHOPPOZYSDEI-UHFFFAOYSA-N

ID: 118902

SMILES:
O=Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.345

CB1 binding score: -18.089

InChIKey:
NDGQQJSQRFKRAW-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties