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Molecule Identifiers
Molecular Properties

ID: 134842

SMILES:
O1c2c(cc(C)cc2O)c2c(ccc(O)c2)C1(C)CC(C)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -14.605

InChIKey:
HMEPWHCZRKJXPY-UHFFFAOYSA-N

ID: 134843

SMILES:
c1(C(Nc2ccc(NC(C)=O)cc2)=O)cc(CCCCC)cc2c1OC(C)(C)C1CC=C(C)CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 488.672

CB1 binding score: -15.36

InChIKey:
PTWLGPMOAJXOMG-UHFFFAOYSA-N

ID: 134844

SMILES:
C123C(C)CCC(C(C)C)C1C(C(C)(Oc1cc(CCCCC)cc(O)c12)O3)C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -13.384

InChIKey:
FQZSDJCTBDKZKV-UHFFFAOYSA-N

ID: 134845

SMILES:
C12C(CCC(C)=CC(=O)CC(C)=C1)c1c(ccc(O)c1)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -11.683

InChIKey:
XXWYSPNWDACNKP-UHFFFAOYSA-N

ID: 134846

SMILES:
C12C(C3CCC(=C)C1C(=O)C3(C)O)C(C)(C)Oc1cc(CCCCC)c(C(=O)O)cc12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.553

CB1 binding score: -16.084

InChIKey:
DQNLATWLYREITH-UHFFFAOYSA-N

ID: 134847

SMILES:
C(Cc1ccc(O)c(O)c1)Cc1c2c(cc(C)c1)C(C(C)(C)O)CC(O)C(C)(CCC=C(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.661

CB1 binding score: -9.134

InChIKey:
HYIULQBXJCNCLR-UHFFFAOYSA-N

ID: 134848

SMILES:
c1(C=CCCCC)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.5

InChIKey:
PCJVPMCGPBQCJN-UHFFFAOYSA-N

ID: 134849

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 134850

SMILES:
C1(C)=CC(c2c(O)cc(O)cc2C)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 134851

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCC)cc2O)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 134852

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 134853

SMILES:
c12c(OC)cc(CCCCC)cc1OC1(C)CCC3C1C3(C)C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.751

InChIKey:
RCSRFCXNJKNEHS-UHFFFAOYSA-N

ID: 134854

SMILES:
c1(OC)c(OC)cc(O)c2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -15.526

InChIKey:
LYZZUPZTPSYVTG-UHFFFAOYSA-N

ID: 134855

SMILES:
C1=C2C(CC(=O)c3c(O)cc(CCCCC)cc3O)C(C)(C)C(CC2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.437

InChIKey:
SUZYTOICDRMPLW-UHFFFAOYSA-N

ID: 134856

SMILES:
C1C(CCCC)=C(C)C(=O)Cc2c3c(co2)CCC1C(C)(C)O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.842

InChIKey:
RUSFNZHQKZALAP-UHFFFAOYSA-N

ID: 134857

SMILES:
C1CC2C(C)(C)Oc3cc(C)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 232.323

CB1 binding score: -18.218

InChIKey:
LFKHMCMZOWHUSU-UHFFFAOYSA-N

ID: 134858

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2CC(C)C(O)CC2C1C(=CC=CC(C)(O)C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -15.306

InChIKey:
PKJYORLVTJOUQC-UHFFFAOYSA-N

ID: 134859

SMILES:
C1(O)CC2(C)C(CC1(C)C)c1ccc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -14.309

InChIKey:
DZTIPNBKYZVNAP-UHFFFAOYSA-N

ID: 134860

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C1(C)C(C)C(OC(C=CC=CC(C)C)=O)CC2C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.624

CB1 binding score: -14.158

InChIKey:
HCKIFIJDYFVGFJ-UHFFFAOYSA-N

ID: 134861

SMILES:
C(C)(C)C1CCC2(C)CC1c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.385

InChIKey:
OEDPJGVWHANUAE-UHFFFAOYSA-N

ID: 134862

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1(CCC(C)=C1C)C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -16.678

InChIKey:
KKVKRRQVQMGTSI-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