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Molecule Identifiers
Molecular Properties

ID: 131188

SMILES:
c1(C)cc(CC2C(C(=C)C)CCC2C)cc(O)c1C1C=C(C)C(=O)CC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 392.583

CB1 binding score: -15.308

InChIKey:
FBKILDQCYKUYSC-UHFFFAOYSA-N

ID: 131189

SMILES:
CC(C1CC(O)C(C)=CC1c1c(O)cc(CCC)cc1O)C(C=C(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.663

InChIKey:
XMWWWGIPGHEAHH-UHFFFAOYSA-N

ID: 131190

SMILES:
C1C(C)=C(C(CCCCC)C)C(C)(CCC=C(C)C)C1c1cc(O)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -16.115

InChIKey:
QGDUJBZCVVUJSX-UHFFFAOYSA-N

ID: 131191

SMILES:
C12(C)C3(c4c(cc(CCCCC)cc4O)OC1CC1C(C)(OO2)CCC2C1(C)CCCC2(C)C)Oc1ccc(O)cc13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 576.774

CB1 binding score: -15.153

InChIKey:
OPAVSTVKBVBEBT-UHFFFAOYSA-N

ID: 131192

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C(=O)O)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.605

InChIKey:
FKOKPCOQLHSURS-UHFFFAOYSA-N

ID: 131193

SMILES:
O1c2c(c3c(c(O)c2)C(CC(C)C)C(C)(C)O3)C(C)(C)C(CC=C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -16.316

InChIKey:
NPDUKHGZVHHYSJ-UHFFFAOYSA-N

ID: 131194

SMILES:
Oc1c2c3c(cc1OC)OC(C)(C)C(CCC(C)(O)C)C(C2)C3CC(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.537

CB1 binding score: -17.178

InChIKey:
DHJCREWKMYNMEV-UHFFFAOYSA-N

ID: 131195

SMILES:
c1(OC(C=O)C(O)CCCCCCCCCCCCC)ccc(C)c(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.775

CB1 binding score: -13.842

InChIKey:
UOAKOOJNSHXOBR-UHFFFAOYSA-N

ID: 131196

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 131197

SMILES:
C1CC2C(C)(C)Oc3ccc(O)cc3C2C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.067

InChIKey:
OBJJEVJNCDBGOD-UHFFFAOYSA-N

ID: 131198

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C2(C(O)=O)C1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: Not available

InChIKey:
WYAMJVOJKNKZBA-UHFFFAOYSA-N

ID: 131199

SMILES:
C1=C(C)CCC2C(C1)c1c(cc(CCCCC)cc1OC)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.835

InChIKey:
XAHMGLCXXSPZDT-UHFFFAOYSA-N

ID: 131200

SMILES:
O(c1c(C(C)C)c(O)c(O)c2c1C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.929

InChIKey:
DUXMNALNHAQADC-UHFFFAOYSA-N

ID: 131201

SMILES:
C1(C(C)(C)O)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 131202

SMILES:
C(Cc1c(O)c(C(=O)CC(C)C)c(O)c(C2C=C(C)CCC2C(O)(C)C)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -17.199

InChIKey:
NDYNBYHNBVDXDO-UHFFFAOYSA-N

ID: 131203

SMILES:
C1C(=O)C(=C)CC2c3c(cc(CCCCC)cc3OC(CCCCCCCCCCCCCCCCC)=O)OC2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 566.867

CB1 binding score: -13.785

InChIKey:
BVLAECAQQKVZPS-UHFFFAOYSA-N

ID: 131204

SMILES:
O=C1OC2=CC(C)(C)Oc3cc(CCCCC)ccc3C2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -14.365

InChIKey:
FIERJPOXZMJJRN-UHFFFAOYSA-N

ID: 131205

SMILES:
OC1(C)CCC=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -15.735

InChIKey:
HNPQGWNXXOEAJG-UHFFFAOYSA-N

ID: 131206

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -17.637

InChIKey:
CHUDUQRJNYLFSG-UHFFFAOYSA-N

ID: 131207

SMILES:
Oc1c2c(cc(CCCCC)c1)OC1C2C(OC(C)=O)CCC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -13.203

InChIKey:
JLXMUXRSPHVWGH-UHFFFAOYSA-N

ID: 131208

SMILES:
C(CCCc1cc(=O)c(O)c(C2(C)OC(C)(C)CCC2)c(O)c1)C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -13.34

InChIKey:
WPXVYOYBCNOXEE-UHFFFAOYSA-N

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131188–131208 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