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Molecule Identifiers
Molecular Properties

ID: 106324

SMILES:
C(C)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 106325

SMILES:
CC1(C)C2C=CC(OO)(C)CC2c2c(cc(CCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.486

InChIKey:
CUABUDMCTLANLE-UHFFFAOYSA-N

ID: 106326

SMILES:
C1C(C(C)=C)C(C=C)(C)Cc2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -16.384

InChIKey:
FRDZTAAZUGKLFH-UHFFFAOYSA-N

ID: 106327

SMILES:
C(=O)(OC)c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(CC=C(CO)CCC=C(C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -16.175

InChIKey:
ZKVKXCLYKMGOFI-UHFFFAOYSA-N

ID: 106328

SMILES:
C1(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -19.037

InChIKey:
WOUJHLUSTPDGBC-UHFFFAOYSA-N

ID: 106329

SMILES:
C1CC2(C)C(C(CO)(C)CC2O)C2C1(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -15.606

InChIKey:
BCMTUTXFBMRXKK-UHFFFAOYSA-N

ID: 106330

SMILES:
c1(O)cc(CCCCC)cc2c1-c1c-2cc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.551

CB1 binding score: -12.262

InChIKey:
WLQIPJPXOWMYFZ-UHFFFAOYSA-N

ID: 106331

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.306

InChIKey:
WCCPWIQMVYMRRR-UHFFFAOYSA-N

ID: 106332

SMILES:
C1=C(C)CC2C(C1)c1c(cc(CCC(C)=O)c(O)c1)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -12.219

InChIKey:
VWRPBCAKALBGQG-UHFFFAOYSA-N

ID: 106333

SMILES:
C(CCC)c1c(O)c2c(cc1O)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.082

InChIKey:
PBMDVMXHDJRQRK-UHFFFAOYSA-N

ID: 106334

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C(OC2OC(COC(C(C)=CC)=O)C(O)C(O)C2O)(C=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 574.711

CB1 binding score: -13.842

InChIKey:
YVMJANHPGYKPDD-UHFFFAOYSA-N

ID: 106335

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C(=C(C)CCC1C(=C)C)CCC2(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.601

InChIKey:
OKBNADUNVFRKBP-UHFFFAOYSA-N

ID: 106336

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C(OC(=O)CCC)C1C(=C)C(O)CCC1(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.677

CB1 binding score: -15.513

InChIKey:
TVZSJGFVSLSVKK-UHFFFAOYSA-N

ID: 106337

SMILES:
C1CCc2c(cc(CCCCC)cc2O)C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.394

CB1 binding score: -16.489

InChIKey:
IXWMVQJVQBZHMA-UHFFFAOYSA-N

ID: 106338

SMILES:
C1C(CO)=CC(c2c(O)cc(CCCC(=O)C)cc2O)C(C(C)C)C1C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -13.1

InChIKey:
JZJNICMRFNBGSB-UHFFFAOYSA-N

ID: 106339

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.412

CB1 binding score: -16.03

InChIKey:
OECWUMFARYJINY-UHFFFAOYSA-N

ID: 106340

SMILES:
C(O)CCc1cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.015

InChIKey:
CZSVXKPXKZPOIV-UHFFFAOYSA-N

ID: 106341

SMILES:
c1c(CCC[CH]C)cc(OC(=O)C)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 355.498

CB1 binding score: -17.74

InChIKey:
VMZRPHLEDQUJRZ-UHFFFAOYSA-N

ID: 106342

SMILES:
C1=CC(=O)OC(C)(C)C2CCC3(C)C(C(C)(C(Cc4cc(OC(=O)C)cc(O)c4)C)C)=CCC3C12C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.672

CB1 binding score: -13.301

InChIKey:
WJKRDMWUJUYARL-UHFFFAOYSA-N

ID: 106343

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 106344

SMILES:
C1(O)Oc2c(c(O)cc(CCCCC)c2)C2C(C(=O)C=C2C)C1(C)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -14.241

InChIKey:
MKSZYTCKURLTFH-UHFFFAOYSA-N

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106324–106344 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