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Molecule Identifiers
Molecular Properties

ID: 82279

SMILES:
C1CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 82280

SMILES:
c1(C)c2c(ccc1C)C=C1C(c3c(cc(CCCCC)cc3O)OC1O)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.457

CB1 binding score: -15.698

InChIKey:
HRSXPHAFACJBOG-UHFFFAOYSA-N

ID: 82281

SMILES:
C1(CCC)(C)C(C(C)=C)CCC(C)=C1Cc1c(O)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -15.554

InChIKey:
JUQKPVLDFLCTLD-UHFFFAOYSA-N

ID: 82282

SMILES:
C1(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 82283

SMILES:
O1c2cc(CCCC)cc(O)c2C2C(C)(CCC2C(C)=C)CC2C1(C)CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.626

CB1 binding score: -18.365

InChIKey:
FIFXJJLQHFPZNI-UHFFFAOYSA-N

ID: 82284

SMILES:
C1C2=CC(C)(OC)CCC2C(C)(C)Oc2cc(CCCCC)c(C(OC)=O)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.29

InChIKey:
TULHPDMFWYSYTM-UHFFFAOYSA-N

ID: 82285

SMILES:
C1=CC(C)(C)C2CC13C(=O)c1cc(O)c(CCCCC)cc1OC3(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.526

InChIKey:
WZDGAUQSVFZYFR-UHFFFAOYSA-N

ID: 82286

SMILES:
c1(CC=C(C)CCC=C(C)C)c(OC)c(C(O)=O)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -17.461

InChIKey:
BXDOBWMDKVXMSO-UHFFFAOYSA-N

ID: 82287

SMILES:
C(C=C(C)C1CC(=O)C(C)(C)O1)CC(C)=CCc1c(O)c(C)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.257

InChIKey:
UYENYTYSWOHJMT-UHFFFAOYSA-N

ID: 82288

SMILES:
CC1(C)C2CC=C(C)CC2c2cc(OC(=O)C)ccc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -16.502

InChIKey:
HLKUVKHULFZEHC-UHFFFAOYSA-N

ID: 82289

SMILES:
C1(O)C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.072

InChIKey:
DJCKLUPKZRLTPE-UHFFFAOYSA-N

ID: 82290

SMILES:
c1(C(C)C)c(O)ccc2c1-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -16.208

InChIKey:
VPMBFEOSRHKLDH-UHFFFAOYSA-N

ID: 82291

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 82292

SMILES:
CC(=C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC(=O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.338

InChIKey:
AVVHVFCCAVBMSW-UHFFFAOYSA-N

ID: 82293

SMILES:
CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 82294

SMILES:
C12(C)CC=C3c4c(OC)cc(CC)cc4OC3(C)C1C(C)C(C)=CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: -12.856

InChIKey:
LBDIUSGFEPPQHC-UHFFFAOYSA-N

ID: 82295

SMILES:
OC(C)(C)C1C(c2c(O)cc(CCCC(C)C)cc2O)C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.5

CB1 binding score: -15.29

InChIKey:
AVBURGKRACBJLN-UHFFFAOYSA-N

ID: 82296

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)cc(O)c(C(=O)C(CC)C)c2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.453

InChIKey:
NIZQVFOBIVYVBJ-UHFFFAOYSA-N

ID: 82297

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 82298

SMILES:
C(O)c1c(CCCCC)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)(OO)C=C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -15.384

InChIKey:
IOVBRIFSJHWDLQ-UHFFFAOYSA-N

ID: 82299

SMILES:
C1C(c2c(O)cc(CCCCC)cc2)OC(C)(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -15.438

InChIKey:
ZNZRTSWSQSHRPH-UHFFFAOYSA-N

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82279–82299 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