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Molecule Identifiers
Molecular Properties

ID: 78289

SMILES:
O(c1c2c3c(c(O)c1CO)C=CC(C)(C)O3)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -15.369

InChIKey:
BYHNZONNTYOKPL-UHFFFAOYSA-N

ID: 78290

SMILES:
C1C(C)CC=C(C(C)C)C1c1c(O)cc(CCCCCO)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.089

InChIKey:
VCJNCZWUEJZVMU-UHFFFAOYSA-N

ID: 78291

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.975

InChIKey:
DHXIVHTVASKKFZ-UHFFFAOYSA-N

ID: 78292

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCCC)c2)C2C=C(COC(=O)C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -16.834

InChIKey:
FLIQSOQAAQITNX-UHFFFAOYSA-N

ID: 78293

SMILES:
C(CCCC)Cc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.264

InChIKey:
JSQZQNWIVUSPJH-UHFFFAOYSA-N

ID: 78294

SMILES:
c12c(cc(CCCCC)cc1O)C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.028

InChIKey:
BNDLCGBREIIGHD-UHFFFAOYSA-N

ID: 78295

SMILES:
C1(OC(C)=O)C2OC3c4c(cc(CCCCC)cc4O)OC3(C)CCC2=C(C)C(=O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.497

CB1 binding score: -16.461

InChIKey:
ACWLOXRQOZVITR-UHFFFAOYSA-N

ID: 78296

SMILES:
C1(Br)CCC(O)(C)C(CCC(C)=CCc2c(O)cc(CCC)cc2O)C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 453.461

CB1 binding score: -16.067

InChIKey:
GVEWVFGEAKPOAP-UHFFFAOYSA-N

ID: 78297

SMILES:
C(C(O)c1cc2c(c(O)c1)C1C(CCC(C=O)=C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.236

InChIKey:
BCXBTSZYEXJFGQ-UHFFFAOYSA-N

ID: 78298

SMILES:
CCCCCCCCCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -16.216

InChIKey:
JNZGRTIYMBJPMS-UHFFFAOYSA-N

ID: 78299

SMILES:
C(C=C(C=O)C)CC(=CCc1c(O)c(C(=O)O)c(CCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -17.189

InChIKey:
NMUAFMFQXWQGAZ-UHFFFAOYSA-N

ID: 78300

SMILES:
c1(C)cc(O)c2c(c1O)C1C(CC2)C(C)(C)Oc2c1c(=O)c(OC)c1c(c2O)C=CC(CCC=C(C)C)(C)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 534.649

CB1 binding score: -14.15

InChIKey:
AFXOVQYHHQNECH-UHFFFAOYSA-N

ID: 78301

SMILES:
Oc1cc(CCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 78302

SMILES:
C(=C(C)C)C1Oc2cc(CCCCC)c(O)c(O)c2C2C1(C)CCC(C(C)=C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -12.631

InChIKey:
OFUTZPKEYRTORI-UHFFFAOYSA-N

ID: 78303

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2=C(C(C)CC2)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -16.502

InChIKey:
DTZOJRAKZOWRNJ-UHFFFAOYSA-N

ID: 78304

SMILES:
C1CC(C(C)=C)C(Cc2c(O)c(C(OC)=O)cc(CCCCC)c2)C(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -16.297

InChIKey:
JHHWTWYKZLAYLU-UHFFFAOYSA-N

ID: 78305

SMILES:
CC1=C2C(c3c(cc(CCCCC)c(C(=O)O)c3O)OC2(C)CCC=C(C)C)CC(O)(C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.677

CB1 binding score: -15.104

InChIKey:
WEDXVGGAQFULSY-UHFFFAOYSA-N

ID: 78306

SMILES:
c12cc(CCCCC)cc(O)c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 78307

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(COC2C(O)C(O)C(O)C(CO)O2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.609

CB1 binding score: -16.775

InChIKey:
XLAKLUKOUJQOFH-UHFFFAOYSA-N

ID: 78308

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.537

CB1 binding score: -15.524

InChIKey:
HBJMGVMSFCCNSY-UHFFFAOYSA-N

ID: 78309

SMILES:
C(CC1=C2OC(C)(C)C3CC(CC(C(C)=C)C2)C3(C)C(O)C1=O)(CC)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -14.115

InChIKey:
ICQMBISBMMZTKB-UHFFFAOYSA-N

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78289–78309 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