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Molecule Identifiers
Molecular Properties

ID: 106282

SMILES:
C(CCC1(C)Oc2c(C)cc(O)cc2C=C1)(C(C)C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -17.427

InChIKey:
XUEKBJXFPJGKBQ-UHFFFAOYSA-N

ID: 106283

SMILES:
CC1=C(CC(C(=CCc2c(O)c(C)cc(O)c2)C)C)OC(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.78

InChIKey:
VZDWPIULNSBRKJ-UHFFFAOYSA-N

ID: 106284

SMILES:
C1CC(=C)C(O)(C)C2c3c(O)cc(CCCCC)cc3OC1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.239

InChIKey:
XLVSWXPZJZQXNV-UHFFFAOYSA-N

ID: 106285

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)cc(O)c1CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.072

InChIKey:
YHIYLDVOKSZPRR-UHFFFAOYSA-N

ID: 106286

SMILES:
c1(CC=C(C)CCC=C(C)C)cc(O)c(CN(C)C(C)=O)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 331.456

CB1 binding score: -15.067

InChIKey:
FHKPJMXONCUBNI-UHFFFAOYSA-N

ID: 106287

SMILES:
C1C2(C(C)(C)CC(O)C(O)C2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -15.047

InChIKey:
QDQFXWUGHKGOJW-UHFFFAOYSA-N

ID: 106288

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids;Aromatic polyketides

Class: Cannabinoids;Catechols with side chains

MW: 360.538

CB1 binding score: -17.605

InChIKey:
VGSWDTUWPCCFFC-UHFFFAOYSA-N

ID: 106289

SMILES:
C1(=C)CCC=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -18.356

InChIKey:
ZJPTYFKSUONYDF-UHFFFAOYSA-N

ID: 106290

SMILES:
CCCc1cc(O)c(C2C=C(C)CCC2(CC=C(C)C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.21

InChIKey:
KBNAWIRORWVBIF-UHFFFAOYSA-N

ID: 106291

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 106292

SMILES:
c1(C=CC(=O)OCC(C)=CC2=C(CC(C)(C)O)C(C)CC2=O)c(O)cc(CCCCC)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -18.21

InChIKey:
KJRWGQZETICYRC-UHFFFAOYSA-N

ID: 106293

SMILES:
CC(C1C(c2c(OC)cc(CCCCC)cc2OC)CC(C)=CC1)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -15.464

InChIKey:
XTCOAFQMFLJNLB-UHFFFAOYSA-N

ID: 106294

SMILES:
C1(C)(C)Oc2c(c(OC)cc(CCCCC)c2)C2C1(O)CCC(C)(OC)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.537

CB1 binding score: -14.883

InChIKey:
DHGVQBXRJKNGFL-UHFFFAOYSA-N

ID: 106295

SMILES:
C1(C)=CC2c3c(cc(CCC)cc3O)OC(C)(C)C2CC1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.205

InChIKey:
QAWCIBCYLJVBNS-UHFFFAOYSA-N

ID: 106296

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.522

InChIKey:
ZFOOMLRBBNPMIY-UHFFFAOYSA-N

ID: 106297

SMILES:
Cc1c(Cc2c3c(c(CC=C(C)C)c(O)c2)CC2C(C)(O)CCC2C(C)(C)O3)C=CC(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.662

CB1 binding score: -14.076

InChIKey:
DQDMLPXSEZFBCZ-UHFFFAOYSA-N

ID: 106298

SMILES:
C1C(C2=Cc3c(O)cc(C)c4c3C(=C(C)C(O)=O)C(=O)C=C2C2C=C(C)CCC2C(C)(C)O4)OC1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.568

CB1 binding score: -13.45

InChIKey:
CHXWPIYXWGHFQO-UHFFFAOYSA-N

ID: 106299

SMILES:
CC1=CC(c2c(O)cccc2CC(=O)O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -16.478

InChIKey:
OXOVUTUDKXAIEA-UHFFFAOYSA-N

ID: 106300

SMILES:
Oc1c(O)cc(C)c(C2C(C(C)=C)CCC(C)=C2)c1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.929

InChIKey:
CHVJEJOTDRIPNT-UHFFFAOYSA-N

ID: 106301

SMILES:
C1(=O)C(C)C2C(CC(C)=CC2)c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -14.786

InChIKey:
RSBWOTQJPOVRQR-UHFFFAOYSA-N

ID: 106302

SMILES:
O1c2c(cc(CCCCC)cc2O)CC(CCCC(C)=C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -16.205

InChIKey:
HBALVIFWESSESW-UHFFFAOYSA-N

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106282–106302 of 773808 items

Molecule Overview

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