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Molecule Identifiers
Molecular Properties

ID: 100192

SMILES:
C1C=C(C)CC(CC(C)=CCc2c(O)c(C)cc(OC)c2)(C)C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -12.455

InChIKey:
ZWFKRYUBSVWHBL-UHFFFAOYSA-N

ID: 100193

SMILES:
C1(C(=C)C)(O)C2C(C)(Oc3c(c(O)cc(CCC)c3)C2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.549

InChIKey:
HQGVOFXGMWJQOI-UHFFFAOYSA-N

ID: 100194

SMILES:
C1C(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -19.22

InChIKey:
AHKIGVNVQSVNEP-UHFFFAOYSA-N

ID: 100195

SMILES:
O1C2(c3c(cc(CCCCC)cc3O)OC1(C(C)C)C)CC(C)CC2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.607

InChIKey:
LDJFRQAGVRTNRA-UHFFFAOYSA-N

ID: 100196

SMILES:
OC1C(O)C(CO)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.336

CB1 binding score: -16.592

InChIKey:
KUIVYMADIRTUTG-UHFFFAOYSA-N

ID: 100197

SMILES:
C1CC2c3c(cc(CCCCC)cc3O)CCC(C)C2=CC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.524

CB1 binding score: -17.078

InChIKey:
LKVHUAQAPXSZEI-UHFFFAOYSA-N

ID: 100198

SMILES:
C(=C)(C1CCC(C)=CC1c1c(O)c(C(O)=O)c(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -18.365

InChIKey:
WVOLTBSCXRRQFR-UHFFFAOYSA-N

ID: 100199

SMILES:
c1(O)c(OC)cc(CCCCC)cc1C=C1C(C)=CCC2C(C)(C)C3C=C(C(=O)O3)CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -16.112

InChIKey:
SUGOKKKAULSGON-UHFFFAOYSA-N

ID: 100200

SMILES:
CC1CC(c2c(-c3cc(O)ccc3)cc(CCCCC)cc2O)CC(C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.539

CB1 binding score: -13.328

InChIKey:
XOANVZLZVJUZAP-UHFFFAOYSA-N

ID: 100201

SMILES:
C1C2(C)C3C(c4c(cc(CCCCC)cc4O)OC3)CCC2C(C(=O)O)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -14.839

InChIKey:
GLVZDBQKWBNBTF-UHFFFAOYSA-N

ID: 100202

SMILES:
CCCCCc1c(O)c2c(c(O)c1)C1C(C3C(CCC3(O)C)C(C)(C)O1)C1(C)CCC(C(O)(C)C)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 514.747

CB1 binding score: -15.562

InChIKey:
SWHDBJWRJCHQQF-UHFFFAOYSA-N

ID: 100203

SMILES:
Cc1c(C(=O)Cl)cc2c(c1)C(C)(C)Oc1cc(CCCCC)cc(O)c1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.892

CB1 binding score: -15.044

InChIKey:
IQZSUFQDOHJLLH-UHFFFAOYSA-N

ID: 100204

SMILES:
C(CC(CC)C)Oc1c(CC=C(C)C)ccc2c1OC(C)(C)C1CC=C(C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -14.777

InChIKey:
STCHLYTVMXVGJV-UHFFFAOYSA-N

ID: 100205

SMILES:
C1(C)(C)Oc2c(c(O)c(CC=C(C)C)c(O)c2)C2C1(O)CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.715

InChIKey:
WLAQTIYRZCOBBV-UHFFFAOYSA-N

ID: 100206

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 372.549

CB1 binding score: -17.023

InChIKey:
KMRKHDLBUSYYII-UHFFFAOYSA-N

ID: 100207

SMILES:
CC1(C)OC(=O)c2c(c3c(cc2CCCCC)OC(C)(C)C=C3)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.546

InChIKey:
XKKNIVRLCRKABD-UHFFFAOYSA-N

ID: 100208

SMILES:
c1(CCCC(O)(C)C)ccc(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.674

InChIKey:
TWKITFUARQUULT-UHFFFAOYSA-N

ID: 100209

SMILES:
O(c1c2c(c(O)cc1)C1CC(C)=CCC1C(C)(C)O2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -16.93

InChIKey:
ZQCOWWHTOGJZOR-UHFFFAOYSA-N

ID: 100210

SMILES:
CC(OC1C(=O)C(C)=C2OC(C)(C)C3C2C=C(C)C(=O)CC3(O)C1C)=CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -15.629

InChIKey:
RKRFNBXZWDTHDT-UHFFFAOYSA-N

ID: 100211

SMILES:
C1=CC(C(CCC=C(C)C)C)(Oc2cc(CCCCC)cc(O)c2)OC(C=C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -14.767

InChIKey:
TVAMUNBEYASOOZ-UHFFFAOYSA-N

ID: 100212

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc(C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -18.696

InChIKey:
WNKDAZLOXAUXJL-UHFFFAOYSA-N

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100192–100212 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