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Molecule Identifiers
Molecular Properties

ID: 51430

SMILES:
O1c2c(c(O)c(C3C(C(C)=C)CCC(C)=C3)cc2C(=O)C(C)C)CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: Not available

InChIKey:
HJMZOEWIKWBXRF-UHFFFAOYSA-N

ID: 51431

SMILES:
CC(C1C2(Oc3cc(CCCCC)cc(O)c32)OC(CC=C(CCC=C(C)C)C)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -13.257

InChIKey:
VZJOTSSPDVXWHU-UHFFFAOYSA-N

ID: 51432

SMILES:
C1=C(C)C2CCC(C)=CCC(C)(C)CC1c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -12.061

InChIKey:
FXSQOOROGMEXES-UHFFFAOYSA-N

ID: 51433

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C=O)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.255

InChIKey:
BGIBNWZALWRTHR-UHFFFAOYSA-N

ID: 51434

SMILES:
O=C(OCC(C)CCCC(C)C)c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CO)C1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.584

CB1 binding score: -13.773

InChIKey:
HGZUJQKJWMXVKK-UHFFFAOYSA-N

ID: 51435

SMILES:
CC(=CCCC(=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 51436

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.354

InChIKey:
OJTMRZHYTZMJKX-UHFFFAOYSA-N

ID: 51437

SMILES:
c1c2c(c(CCCCC)cc1O)OC1(C)CC2C(C(CCC=C(C)C)(O)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -13.161

InChIKey:
QJMMEEUHDUYTSD-UHFFFAOYSA-N

ID: 51438

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C2CCC2(C)OC2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -17.048

InChIKey:
VJEHKDIRRINTIX-UHFFFAOYSA-N

ID: 51439

SMILES:
Oc1cc(O)ccc1C1C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.171

InChIKey:
HFDMGJLGHZDMNB-UHFFFAOYSA-N

ID: 51440

SMILES:
C(=O)(O)C1=CC2C(CC1)C(C)(C)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.994

InChIKey:
WXGJTHWZSHNATO-UHFFFAOYSA-N

ID: 51441

SMILES:
C1C2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 51442

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -16.943

InChIKey:
VXGKLDGOVIXPAH-UHFFFAOYSA-N

ID: 51443

SMILES:
C(CCCC)c1cc(O)c(C2C=C(CCC=C(C)C)C(=O)O2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.365

InChIKey:
TVLUJXRPTYGDHM-UHFFFAOYSA-N

ID: 51444

SMILES:
Oc1c(C(=O)CCc2cc(O)c3c(c2)OC(C)(C)C2CCC(C)(O)C(O)C23)cc(O)c(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.535

CB1 binding score: -15.929

InChIKey:
AORCTXLPZOGTPM-UHFFFAOYSA-N

ID: 51445

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 51446

SMILES:
C(CCC)c1cc2c(c(O)c1)C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.265

InChIKey:
KTPDAZGMXXWSMU-UHFFFAOYSA-N

ID: 51447

SMILES:
c12cc(O)cc(C)c1OC(CCC=C(C)CCC1OC1(C)C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.553

InChIKey:
ACVWHKVJGOVUKG-UHFFFAOYSA-N

ID: 51448

SMILES:
c1(O)cc2c(c3c1c(=O)c(CC=C(C)C)c(O)cc3)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.522

CB1 binding score: -13.658

InChIKey:
RUJACCFRKMNOBO-UHFFFAOYSA-N

ID: 51449

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCCCC)c(OC)c2OC)C(=O)C(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.588

InChIKey:
BIRYTGUHRUNZEZ-UHFFFAOYSA-N

ID: 51450

SMILES:
c1(-c2c(O)cc(CCCCCC)cc2O)cc2c(cc1)OC(C)(C)C1C2CC(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.609

CB1 binding score: -16.611

InChIKey:
VJFYMPVMLADFON-UHFFFAOYSA-N

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51430–51450 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