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Molecule Identifiers
Molecular Properties

ID: 113863

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.585

InChIKey:
DNTBFILTGOCICF-UHFFFAOYSA-N

ID: 113864

SMILES:
C(C)(CC1CC(C)C2C(=O)CC(C)=CC2c2c1c(O)cc(CCCCC)c2)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -13.401

InChIKey:
PSUYLELKPUGIOD-UHFFFAOYSA-N

ID: 113865

SMILES:
C(C)(=CCc1c(O)cc(CCCCC)cc1OC)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 113866

SMILES:
C1C2(C)c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC1C(O)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.094

InChIKey:
NMQAURMBTKJQHL-UHFFFAOYSA-N

ID: 113867

SMILES:
c1(C2C(C(=CCC=C(C)C)C)CCC(C)=C2)c(O)cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.454

CB1 binding score: -15.837

InChIKey:
HODOZTZAGXKDET-UHFFFAOYSA-N

ID: 113868

SMILES:
c1(O)c(C)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C(=O)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: Not available

InChIKey:
UAPVILRYIDLJHQ-UHFFFAOYSA-N

ID: 113869

SMILES:
C12C(C(CC(C)(C)O)c3c(O)cc(C)cc3O1)CCC(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -13.401

InChIKey:
ZJPHAPWNYLWKLR-UHFFFAOYSA-N

ID: 113870

SMILES:
c1(O)c2c(c(O)c(CC(C)C)c1)OC1C(C)(O)CCC(C(C)=C)C2Cc2c(C)cc(O)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.591

CB1 binding score: -14.305

InChIKey:
MKDQLSSIUZTBBP-UHFFFAOYSA-N

ID: 113871

SMILES:
c1ccc(O)c(C2C=C(C)CCC2C(=C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 113872

SMILES:
C12OCC(O)(CCC1(C)C)c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.429

CB1 binding score: -13.502

InChIKey:
YPVKEJKXDVOCBL-UHFFFAOYSA-N

ID: 113873

SMILES:
OC(C)(C)C1Cc2c(C3Oc4c(c(O)cc(CCC)c4)C3)C(=O)C(O)=C2C(CC=C(C)C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.618

CB1 binding score: -12.74

InChIKey:
RWRDJCJAZSESKQ-UHFFFAOYSA-N

ID: 113874

SMILES:
c1c(CCCCC)cc2c(c1O)C1C(=C2)C(C)CCC1=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.481

CB1 binding score: -15.871

InChIKey:
MPFZZZIMFHPQKY-UHFFFAOYSA-N

ID: 113875

SMILES:
C(Cc1c2c(c(O)c(OC)c1)C1C(CCC(C)=C1)C(C)(C)O2)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.378

InChIKey:
AWIJOEDLZFMSER-UHFFFAOYSA-N

ID: 113876

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -12.482

InChIKey:
WPPORVURTPDHKJ-UHFFFAOYSA-N

ID: 113877

SMILES:
C1(C)=CC(=O)C2(CC1C)C1(C)C(CC(C)=CCC1=O)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -15.214

InChIKey:
BTTOGGHNLKGCDI-UHFFFAOYSA-N

ID: 113878

SMILES:
Oc1cc(C)cc(O)c1C1C(C(CCC=C(C)C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.223

InChIKey:
OJONPWSJCVBBKK-UHFFFAOYSA-N

ID: 113879

SMILES:
C(C1=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1)=CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -15.412

InChIKey:
QCSPWNVWICRCRY-UHFFFAOYSA-N

ID: 113880

SMILES:
C12C(C)(C)C=C(C)CC1c1c(ccc(O)c1)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -14.626

InChIKey:
KUHHRLUSUDLQAM-UHFFFAOYSA-N

ID: 113881

SMILES:
C1(C)=CC2C(C(C)(C)Oc3cc(CCc4ccccc4)cc(O)c32)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.486

CB1 binding score: -19.258

InChIKey:
DYHMKBLKWFFFSZ-UHFFFAOYSA-N

ID: 113882

SMILES:
C1(C(=C)C)CCC(C)(C(O)=O)CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.916

InChIKey:
QAWTVSLGIAEZNL-UHFFFAOYSA-N

ID: 113883

SMILES:
CC1=CC(c2c(O)cc(CCC)cc2O)C(C(=C)COC(C)=O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.998

InChIKey:
JAIFWIUMLANMSN-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