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Molecule Identifiers
Molecular Properties

ID: 76378

SMILES:
CC1(CCC(C(=C)C)O)C2CC(=C(C)CO)Oc3cc(C)c(cc3)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -12.02

InChIKey:
NPRYDOLFNSGDGV-UHFFFAOYSA-N

ID: 76379

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1=CCC(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.797

InChIKey:
UQOUHXDCXBITSF-UHFFFAOYSA-N

ID: 76380

SMILES:
c1(O)c2c(c(Cl)c(O)c1CC=C(C)C)OC(C)(C)C1C2C(O)C(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.911

CB1 binding score: -13.825

InChIKey:
YHUUBVOBYNGAST-UHFFFAOYSA-N

ID: 76381

SMILES:
C(CCCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(O)C(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.697

InChIKey:
RDLUNEDCJHKYDQ-UHFFFAOYSA-N

ID: 76382

SMILES:
C(c1c2c(c(O)cc1)C1C(CCC(C)=C1)C(C)(C)O2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -17.277

InChIKey:
ZSZCIXJMDWBTPY-UHFFFAOYSA-N

ID: 76383

SMILES:
Oc1c2c(c(CC(O)C)cc1O)OC(C)(CCC=C(C)C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -15.223

InChIKey:
JXXORYJQRYEBAV-UHFFFAOYSA-N

ID: 76384

SMILES:
Oc1c(C=O)c(O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -18.055

InChIKey:
GEZAYKHATNAJMB-UHFFFAOYSA-N

ID: 76385

SMILES:
C(CC)Cc1cc(O)c(C2C=C(C)C(O)CC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.569

InChIKey:
QZYQMFMYVWPRKQ-UHFFFAOYSA-N

ID: 76386

SMILES:
C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C(C(O)=O)C2C(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.367

InChIKey:
KDIIMKLRPUNNDZ-UHFFFAOYSA-N

ID: 76387

SMILES:
COCc1cc2c(c(OC)c1OC)-c1cc(C)ccc1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -14.324

InChIKey:
BLOAJQZFFCHUGM-UHFFFAOYSA-N

ID: 76388

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.651

InChIKey:
CKMSAAFAEFGNEW-UHFFFAOYSA-N

ID: 76389

SMILES:
COc1c(O)c(C2C(C(COC(=O)CC)=C)CCC(C)=C2)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -15.695

InChIKey:
CCDVUKLJEIDCCC-UHFFFAOYSA-N

ID: 76390

SMILES:
C1(C)C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -17.513

InChIKey:
YTVWRQUVFKUKDU-UHFFFAOYSA-N

ID: 76391

SMILES:
C(C)CCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -20.649

InChIKey:
ZHYPKENABBMAAN-UHFFFAOYSA-N

ID: 76392

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -15.788

InChIKey:
OOYPZDBAARRHLU-UHFFFAOYSA-N

ID: 76393

SMILES:
C1(C)=CC(c2ccc(CCCCC)cc2)C(C(O)(C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -18.046

InChIKey:
MXECOWWPQRFPTG-UHFFFAOYSA-N

ID: 76394

SMILES:
Oc1cc(CCCCC)cc2c1C1C=C(C(OC)=O)CCC1C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.095

InChIKey:
CBBOGKXHKUSCRF-UHFFFAOYSA-N

ID: 76395

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(CO)=CCC1C(=C)CO2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.723

InChIKey:
GBPZFIDMXZWFCW-UHFFFAOYSA-N

ID: 76396

SMILES:
C1C=CC(C)(CCC=C(C)C)Oc2cc(O)cc(CCC(C)(O)C)c21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.309

InChIKey:
MRVFPPUIAVWFKH-UHFFFAOYSA-N

ID: 76397

SMILES:
CC(=CCC12CC(C(C)(C)C3Oc4c(c(O)cc(C)c4)C13)C2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.194

InChIKey:
YWJSLEYRGBNDGI-UHFFFAOYSA-N

ID: 76398

SMILES:
C12=C(CC3(C)CC(c4c(O)cc(CCCCC)cc4O3)C(C)=C1)C(=C)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -16.258

InChIKey:
XUHWNUAFVCSCOE-UHFFFAOYSA-N

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76378–76398 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