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Molecule Identifiers
Molecular Properties

ID: 61279

SMILES:
C1=C2C(C(C)(C)CC1c1c(O)c(C(=O)O)c(CCC)cc1O)CC=C(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -14.889

InChIKey:
LBWVROVRNXFCDU-UHFFFAOYSA-N

ID: 61280

SMILES:
C1(=C)C2C(c3c(O)cc(CCCCC)cc3O1)C(C(C)C)CCC2C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.431

InChIKey:
JVPSKPKZRJEQRS-UHFFFAOYSA-N

ID: 61281

SMILES:
C1C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 61282

SMILES:
OCC1OC(Oc2c3c(ccc2C)OC(C)(C)C2C3C=C(C)C(=O)C2)OC(CO)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.485

CB1 binding score: Not available

InChIKey:
ZDFYGWZCHQOTNF-UHFFFAOYSA-N

ID: 61283

SMILES:
CCCCCc1cc2c(c(O)c1)C1(C(=O)c3ccccc3)C=C(C)C(CC2)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.577

CB1 binding score: -15.982

InChIKey:
NNYRWFYOKPGKDM-UHFFFAOYSA-N

ID: 61284

SMILES:
C1CC(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -14.783

InChIKey:
CMFCJPAZYAMSGJ-UHFFFAOYSA-N

ID: 61285

SMILES:
C(=O)(C1(C)C=Cc2c(cc(CCCCC)cc2O)O1)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -16.991

InChIKey:
IQJSWOBWRPOEPZ-UHFFFAOYSA-N

ID: 61286

SMILES:
c1c(CC=C)c(O)c2c(c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -11.639

InChIKey:
JXZXGNBDHSISHU-UHFFFAOYSA-N

ID: 61287

SMILES:
CC1(C)Oc2c3c(cc(CCCCC)c2)OC(C)(C)C2CCC(C)(CC21)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.903

InChIKey:
TVRUGVSLODNUTG-UHFFFAOYSA-N

ID: 61288

SMILES:
c1(CC=C(C)CCC=C(C)C)c(O)c(CCCCC)c(C=O)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.374

InChIKey:
OGKUPPHZQZCVKE-UHFFFAOYSA-N

ID: 61289

SMILES:
c1(O)ccc2c(c1CCCCC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.592

InChIKey:
BEXWZBWMRRROOX-UHFFFAOYSA-N

ID: 61290

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 61291

SMILES:
C(c1c(O)cc(CCCCC)cc1O)(C)CCC=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.566

CB1 binding score: -16.142

InChIKey:
HSAHXMNDLBKJFW-UHFFFAOYSA-N

ID: 61292

SMILES:
C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 61293

SMILES:
O(C)c1c(C2C(C(C)=C)C(c3c(O)cc(CCCCC)cc3O)C=C(C)C2)ccc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -14.613

InChIKey:
AGOTUVUZHINNPW-UHFFFAOYSA-N

ID: 61294

SMILES:
C1(CC(C)C)CC(C)=CC(c2c(O)ccc(CCc3ccccc3)c2)C1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.595

CB1 binding score: -15.284

InChIKey:
KCJFSDQAHHVDEW-UHFFFAOYSA-N

ID: 61295

SMILES:
C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 61296

SMILES:
C=C1CCC(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.555

InChIKey:
KRDFSSLCSXIAKV-UHFFFAOYSA-N

ID: 61297

SMILES:
C1C(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 61298

SMILES:
c1(O)c2c(cc(O)c1CC=C(C)CCC=C(C)C)OC(C)(C)C1CC=C(C)C(CC=C(C)C)C=C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 476.701

CB1 binding score: -13.601

InChIKey:
HQGFDSWMULIUCH-UHFFFAOYSA-N

ID: 61299

SMILES:
C1(C)(CCC=C(C)C)C2C1c1cc(O)cc(C)c1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -14.597

InChIKey:
LPQLDYRXIMJXAQ-UHFFFAOYSA-N

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61279–61299 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