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Molecule Identifiers
Molecular Properties

ID: 118924

SMILES:
C1(C)(C)C2C1C1c3c(O)cc(CCCCC)cc3OC(C)(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.815

InChIKey:
HOALPIUDZFGOKK-UHFFFAOYSA-N

ID: 118925

SMILES:
CC(CO)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.663

InChIKey:
JNGJGHFJBFPWRL-UHFFFAOYSA-N

ID: 118926

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCCC(=O)O)cc2)CC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.099

InChIKey:
KOPOAZMKSSJSAH-UHFFFAOYSA-N

ID: 118927

SMILES:
CC(=CC1CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.625

InChIKey:
QMWZTDQSOVYWFU-UHFFFAOYSA-N

ID: 118928

SMILES:
C(C=C(CO)C)CC(C1CCC(C(=O)OC)=CC1c1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.639

CB1 binding score: -15.367

InChIKey:
GEVWTSLZEYLEOW-UHFFFAOYSA-N

ID: 118929

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 118930

SMILES:
Oc1c(CC=C(CC(C=C(C)C)OC(C)=O)C)c(O)cc(CC(=O)O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.422

CB1 binding score: -13.905

InChIKey:
GZZNHYADIWBNQA-UHFFFAOYSA-N

ID: 118931

SMILES:
C1C2C(C)(C)Oc3cc(C(O)C(O)CC)ccc3C2CC(=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.475

InChIKey:
IPPXGERULGPCML-UHFFFAOYSA-N

ID: 118932

SMILES:
C1CC(C)=CC2C1C(C)(C)Oc1cc(C)oc(=O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -17.334

InChIKey:
YOXVZKKXWJEOGV-UHFFFAOYSA-N

ID: 118933

SMILES:
C1(C)(C)C2(CCC(C)=CC2)c2c(O)cc(C)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.101

InChIKey:
APTNNMKCKFCUCT-UHFFFAOYSA-N

ID: 118934

SMILES:
C(=C)(C)C1CCC(C)=CC1c1c(O)cc(CO)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.303

InChIKey:
MTKKHOSJZOYPPN-UHFFFAOYSA-N

ID: 118935

SMILES:
C1CC2C(C)(C)Oc3cc(CCC(OCC)=O)cc(O)c3C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.502

InChIKey:
CNILXYVFSJQQHB-UHFFFAOYSA-N

ID: 118936

SMILES:
C1(=O)C(C)C2C(c3c(O)cc(CCCCC)cc3OC2=O)CC1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.074

InChIKey:
SAMBEEFTACJRJB-UHFFFAOYSA-N

ID: 118937

SMILES:
c12c(cccc1)-c1c(cc(CCCCC)cc1OC)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -15.116

InChIKey:
PXEJOGVXVFYNRH-UHFFFAOYSA-N

ID: 118938

SMILES:
C(C1(C)CCC(C(C)CCC=C(C)C)c2c(O)cc(CCCCC)cc2O1)CC(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.701

CB1 binding score: -16.935

InChIKey:
HBDRGSCFPQLEJA-UHFFFAOYSA-N

ID: 118939

SMILES:
C1(c2ccc(O)cc2)Oc2cc(CCCCC)cc(O)c2C2C1C(=C)CCC2C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.577

CB1 binding score: -14.007

InChIKey:
HNIHWVYWJQZHJC-UHFFFAOYSA-N

ID: 118940

SMILES:
c12c(O)c(OCC=CCCC)ccc1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -12.987

InChIKey:
WCPYJJIRVNNMKH-UHFFFAOYSA-N

ID: 118941

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C(C)=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -16.251

InChIKey:
XAUNNUIVLSHUEI-UHFFFAOYSA-N

ID: 118942

SMILES:
C1CC(C)=CC2C1C(C)(C)Oc1cc(C)c(O)cc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.623

InChIKey:
MUNXTPXTGBOZLU-UHFFFAOYSA-N

ID: 118943

SMILES:
c1c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.438

CB1 binding score: -18.455

InChIKey:
AKZMYJAEOJLEIA-UHFFFAOYSA-N

ID: 118944

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.792

InChIKey:
IEOYHNWUNCMPAY-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