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Molecule Identifiers
Molecular Properties

ID: 11215

SMILES:
CC1(C)Oc2c(ccc(CCC)c2)C2C(C)(C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.432

CB1 binding score: -16.209

InChIKey:
UIZNNYDSPMJNAS-UHFFFAOYSA-N

ID: 11216

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CC(O)(C)C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.371

InChIKey:
HTMXPSLDJAFLMN-UHFFFAOYSA-N

ID: 11217

SMILES:
Oc1c(C(O)=O)c(CCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.521

InChIKey:
IQSYWEWTWDEVNO-UHFFFAOYSA-N

ID: 11218

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.969

InChIKey:
NPPHBVFNDGBAJA-UHFFFAOYSA-N

ID: 11219

SMILES:
C(Cc1c(O)c2c(cc1CC(O)C(C)=C)OC(C)(C)C1CC=C(C)CC12)C=C(C)CCCC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 480.733

CB1 binding score: -15.67

InChIKey:
OWBOGKMRUQBROY-UHFFFAOYSA-N

ID: 11220

SMILES:
CC1(C)Oc2c(c(O)cc(CCC)c2)C2CC(C(C)=C)CCC12O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.947

InChIKey:
BMCBTWIMXSMHAI-UHFFFAOYSA-N

ID: 11221

SMILES:
C1CC(C)=CC2c3c(cc(CCC)c(C(=O)O)c3O)OC(C)(C1C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.366

InChIKey:
QFXCBWZAELRRCW-UHFFFAOYSA-N

ID: 11222

SMILES:
C(CCC)c1cc(O)c(C2C=C(CCC=C(C)C)C(=O)O2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.642

InChIKey:
SPASQAHJKSUWKO-UHFFFAOYSA-N

ID: 11223

SMILES:
CC1CCCc2c1cc1c(c2-c2c(O)cc(CCCCC)cc2OC)OC(CC(CC)C)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.662

CB1 binding score: -13.941

InChIKey:
MJMLDXJFNQOJSM-UHFFFAOYSA-N

ID: 11224

SMILES:
C1(C)=CC(c2c(O)cc(O)cc2OC)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.218

InChIKey:
UZWBOVFGUISXLX-UHFFFAOYSA-N

ID: 11225

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 11226

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 11227

SMILES:
C1(=C)CC2C(C(C)(C)Oc3cc(CCCCC)c(C(=O)O)c(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.947

InChIKey:
PQRKLJRMTUJOOO-UHFFFAOYSA-N

ID: 11228

SMILES:
C1Cc2c(O)cc(CCCC)cc2OC1(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.958

InChIKey:
XBYQFRDCUJDLAX-UHFFFAOYSA-N

ID: 11229

SMILES:
C1CC2c3c(cc(CCCCC)c(O)c3O)OC3CCC(C)(C)C1C23C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.128

InChIKey:
VNLMIPFAEOVUFI-UHFFFAOYSA-N

ID: 11230

SMILES:
Oc1c(C2C(C(C)C)C(c3c(O)cc(C)cc3O)C=C(C)C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -12.09

InChIKey:
YEJHULCYNLTXMX-UHFFFAOYSA-N

ID: 11231

SMILES:
C1(C(=C)C)C(c2cc(CCCCC)c(O)c(O)c2)C=C(C(O)=O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -11.9

InChIKey:
PBOLTRUKQUQKBY-UHFFFAOYSA-N

ID: 11232

SMILES:
CC1(C)Oc2c(c(OC)cc(CCCCC)c2OC(C)=O)C2C=C(C)CCC12O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -13.444

InChIKey:
IBLRTFNVOURYLY-UHFFFAOYSA-N

ID: 11233

SMILES:
Oc1cc(CCCC)cc2c1C1CC(C(=C)C)CC3C(C)(C1)C3C=C(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.545

CB1 binding score: -16.764

InChIKey:
BGBLXWAMSARNOH-UHFFFAOYSA-N

ID: 11234

SMILES:
CC12C3C(c4c(O)cc(CCCCC)cc4OC3CC(C)=CCC1)C(C(O)(C)C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -16.011

InChIKey:
XLDZLMXTOKFJRV-UHFFFAOYSA-N

ID: 11235

SMILES:
C(Cc1cc(O)c2c(c1)OC(CO)(C)C2)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -11.737

InChIKey:
YHFSRWJGTHXGCH-UHFFFAOYSA-N

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11215–11235 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