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Molecule Identifiers
Molecular Properties

ID: 100297

SMILES:
C1(C(=C)C)CCC(C)=CC1c1c(O)ccc(CCC(=O)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -17.083

InChIKey:
VPRIXUIJTACDTQ-UHFFFAOYSA-N

ID: 100298

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 100299

SMILES:
c1(CCCCCC)cc(O)c2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.929

InChIKey:
OXPVLCXSEPKYAV-UHFFFAOYSA-N

ID: 100300

SMILES:
c1(O)cc(CCCCC)cc2c1-c1c(ccc(C)c1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 100301

SMILES:
c1(CC=C(C)CCC=C(C)CCC(=O)C(C)(C)O)c(O)cc(CCc2ccc(O)cc2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 466.618

CB1 binding score: -16.274

InChIKey:
QBUAAXWPMNPXGK-UHFFFAOYSA-N

ID: 100302

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 100303

SMILES:
CC(=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 100304

SMILES:
CC1(C)Oc2cc(O)c(C(OC)=O)c(O)c2C2C1CCC(C)=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -18.067

InChIKey:
OZGZWGBHXPFAHB-UHFFFAOYSA-N

ID: 100305

SMILES:
COC(c1c(C)c(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -17.025

InChIKey:
SVPKVSVYQCNBKC-UHFFFAOYSA-N

ID: 100306

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1Oc3cc(C)c(O)cc3C1(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -12.743

InChIKey:
JWEREDFONYZVHL-UHFFFAOYSA-N

ID: 100307

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(CO)(C)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -17.881

InChIKey:
LPPYGRFWJUDGNG-UHFFFAOYSA-N

ID: 100308

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(CCC(CO)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 100309

SMILES:
c1c(O)c(CC=C(C)CCC=C(C)CCC=C(C)C)c(O)cc1COC(=O)c1ccccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.603

CB1 binding score: -14.44

InChIKey:
BJLXBZJMAPVJJL-UHFFFAOYSA-N

ID: 100310

SMILES:
C12=C(C(c3c(OC)cc(CCCCC)cc3O)OC1(C)C)CC(C)(O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -12.607

InChIKey:
JICYELICTDUJDH-UHFFFAOYSA-N

ID: 100311

SMILES:
Oc1c(CC=C(C)CCC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 100312

SMILES:
C1CC(CCC=C(C)C)(C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.791

InChIKey:
ORKZJYDOERTGKY-UHFFFAOYSA-N

ID: 100313

SMILES:
O=CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCCO)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.174

InChIKey:
HVZLUQRVFIRJIJ-UHFFFAOYSA-N

ID: 100314

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C21)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.719

InChIKey:
ZECUJFAOTDACEL-UHFFFAOYSA-N

ID: 100315

SMILES:
C(CCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -16.998

InChIKey:
DAOBMYOFOPZVGI-UHFFFAOYSA-N

ID: 100316

SMILES:
O1C2(C)C1C1c3c(O)cc(CCCCC)cc3OC(C(C)(C)O1)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.481

InChIKey:
SNOBDQRQSFNUBU-UHFFFAOYSA-N

ID: 100317

SMILES:
O1c2cc(CCCCC)cc(OC)c2C2=CC(C)(O)OCC23CC(C)C1C3C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.374

InChIKey:
PYRUGKFMKSXCFG-UHFFFAOYSA-N

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100297–100317 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