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Molecule Identifiers
Molecular Properties

ID: 73291

SMILES:
C1=C(C)CC2C(C(C)(C)Oc3cc(c(O)cc3C)C2)C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -17.605

InChIKey:
GNMHSHSHXACLFJ-UHFFFAOYSA-N

ID: 73292

SMILES:
O1C2C(C)(CC(O)C3C(C)(C)Oc4cc(CCCC)ccc43)C(O)C=C(C=O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -15.842

InChIKey:
QWICCXMMWLUZHF-UHFFFAOYSA-N

ID: 73293

SMILES:
C1CC2C(Cl)(C(CCl)C3C(C)(C)Oc4c(c(O)cc(CCC)c4)C23)C(=O)C(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 437.407

CB1 binding score: -13.769

InChIKey:
BKGCEPLMOORBEV-UHFFFAOYSA-N

ID: 73294

SMILES:
C(C)CCCc1c(C(=C)CCC=C(C)C)cc(CO)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -16.72

InChIKey:
IHBWUNTZGCARLJ-UHFFFAOYSA-N

ID: 73295

SMILES:
c1(O)c(CCCCC)cc(O)c2c1OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.622

InChIKey:
VUACIIASMNRNBB-UHFFFAOYSA-N

ID: 73296

SMILES:
OC(C12c3c(cc(CCCCC)c(C(=O)O)c3O)OC(C1)C(C)(C)O2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.394

CB1 binding score: -15.531

InChIKey:
IZVLXKCIMCAIOO-UHFFFAOYSA-N

ID: 73297

SMILES:
Cc1ccc2c(c1)Oc1c(c(O)cc(CCCCC)c1)C2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.41

CB1 binding score: -16.373

InChIKey:
IPVSFHUHDJOLKY-UHFFFAOYSA-N

ID: 73298

SMILES:
CC(=O)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)OC2C(C1(C)C)CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.417

InChIKey:
CFBVUMVQKKWPKC-UHFFFAOYSA-N

ID: 73299

SMILES:
C(Cc1c(O)c(C(O)=O)c(CCC)cc1O)=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -19.667

InChIKey:
FAVCTJGKHFHFHJ-UHFFFAOYSA-N

ID: 73300

SMILES:
COC(=O)C1(C)C2C(=O)C=C3C(C2c2c(O)cc(CCCCC)cc2O1)CCC3C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.526

CB1 binding score: -12.626

InChIKey:
UYQOYXRLFAQZDV-UHFFFAOYSA-N

ID: 73301

SMILES:
Cc1c(-c2c(C)ccc3c(C)c(O)c(O)cc32)c(CC2C(C)(C)Oc3c2c(O)cc(CCCCC)c3)c(O)c(CC=C(C)CCC=C(C)C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 692.937

CB1 binding score: -15.699

InChIKey:
AUVMGWJIZOVHKB-UHFFFAOYSA-N

ID: 73302

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -18.334

InChIKey:
HJLDQSFDBVFHQA-UHFFFAOYSA-N

ID: 73303

SMILES:
C(c1cc(OC)c2c(c1)OC(C)(C)C(=O)C2)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.295

CB1 binding score: -15.62

InChIKey:
XDMINOBOFXTPGO-UHFFFAOYSA-N

ID: 73304

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -18.046

InChIKey:
MXECOWWPQRFPTG-UHFFFAOYSA-N

ID: 73305

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.264

InChIKey:
JSQZQNWIVUSPJH-UHFFFAOYSA-N

ID: 73306

SMILES:
O1C2(CO)CCC(C(=C)C)C(c3c(O)cc(CCCCC)cc31)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -11.909

InChIKey:
JCHLZRIUVQUYHS-UHFFFAOYSA-N

ID: 73307

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -17.085

InChIKey:
VUDSKIPMWGVGSR-UHFFFAOYSA-N

ID: 73308

SMILES:
c1c(C2C(C(C)=C)C(c3c(OC)ccc(CCCCC)c3)C=C(C)CC2)cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.622

CB1 binding score: -14.965

InChIKey:
QOWFANBLIXHATN-UHFFFAOYSA-N

ID: 73309

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 73310

SMILES:
CNCc1cc(O)c(C2C(C(C)=C)CC(O)C(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 287.403

CB1 binding score: -14.093

InChIKey:
WBUHIFZRUOWJDY-UHFFFAOYSA-N

ID: 73311

SMILES:
CC(CC)=CCc1c(O)c(C(=O)O)c2c(c1OC)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -15.279

InChIKey:
FAUDEEYQDUDBGQ-UHFFFAOYSA-N

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73291–73311 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