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Molecule Identifiers
Molecular Properties

ID: 127324

SMILES:
C(CCC)CC(c1cc(O)c2c(c1)OC1(C)CCCC(C)(C)C1C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -15.272

InChIKey:
TYFDSIRFVXXBCJ-UHFFFAOYSA-N

ID: 127325

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 127326

SMILES:
Oc1ccc(OC)c2c1-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -15.504

InChIKey:
WDILUQZCQWNVFK-UHFFFAOYSA-N

ID: 127327

SMILES:
Oc1c(C2C(C(C)=C)CCC(CO)=C2)c(C)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.032

InChIKey:
GMNZRQIJRFLBLF-UHFFFAOYSA-N

ID: 127328

SMILES:
C(=C)c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.372

CB1 binding score: -18.09

InChIKey:
MOGXJOHEBSGEPO-UHFFFAOYSA-N

ID: 127329

SMILES:
c1(C)cc(C(C)(C)C)cc2c1C=CC(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.351

CB1 binding score: -14.152

InChIKey:
UGNNVDVJWXKIET-UHFFFAOYSA-N

ID: 127330

SMILES:
c1c(CCCCC)cc(O)c(C2OC(CCC=C(C)C)(C)C=C2)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.246

InChIKey:
RYNJSUDQKORJIL-UHFFFAOYSA-N

ID: 127331

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2(O)C1CC(C)(O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -14.262

InChIKey:
KQSCMXZRFBVTQI-UHFFFAOYSA-N

ID: 127332

SMILES:
C(CC1(C)C=Cc2c(O)cc(CCC)cc2O1)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 127333

SMILES:
C1(C)=CCC(c2cc(CCCC)ccc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -17.234

InChIKey:
KJWYOHFCKBKWJA-UHFFFAOYSA-N

ID: 127334

SMILES:
C(CC)CCc1cc(OC)c(O)c2c1OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.391

CB1 binding score: -18.051

InChIKey:
DERXBPBRVDHIRR-UHFFFAOYSA-N

ID: 127335

SMILES:
C1(=O)C(C(C)C)=CC(C2=CCC3C2C(=O)OC3(C)C)Oc2cc(C)c(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -16.527

InChIKey:
HUWICVCXZZUKKL-UHFFFAOYSA-N

ID: 127336

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 127337

SMILES:
O1c2c(c(O)cc3c2C2C(C(C)(C)O3)CCC(C)(C=C)O2)CC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -14.85

InChIKey:
WFKRKJWZCBVUQG-UHFFFAOYSA-N

ID: 127338

SMILES:
C(=O)C(CCC=C(C)C)=CCc1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.748

InChIKey:
HSKNOSOMHLHOGU-UHFFFAOYSA-N

ID: 127339

SMILES:
c1(O)cc2cc(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -16.423

InChIKey:
XUYREMZWDIXSJL-UHFFFAOYSA-N

ID: 127340

SMILES:
C(C(C)(OC(=O)C)C)CCC1(C)OC1CCC1(C)Oc2c(C)cc(O)cc2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -14.95

InChIKey:
GEAPGFWXTFDDHR-UHFFFAOYSA-N

ID: 127341

SMILES:
C(OC1=CC(=O)C(CCCCC)=C(CC=C(CCC=C(C)C)C)C1O)Cc1ccc(OC)c(OC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.688

CB1 binding score: -16.944

InChIKey:
KLTQULUPKXRUBZ-UHFFFAOYSA-N

ID: 127342

SMILES:
Cc1cc2c(cc1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 127343

SMILES:
CC(C1C2(Oc3c1c(O)cc(CCCCC)c3)C1CC3C(C)CC(C=C(C)C)C1C3C(O)CC2C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.716

CB1 binding score: -15.929

InChIKey:
CSIYCGPRTHOZPY-UHFFFAOYSA-N

ID: 127344

SMILES:
C1=C2c3c(cc(CCCCC)cc3O)OC(C)(CC1)C2O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.929

InChIKey:
FOBGGYLEQNCKLS-UHFFFAOYSA-N

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127324–127344 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