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Molecule Identifiers
Molecular Properties

ID: 137152

SMILES:
C(CC=C(CCC1C(C)(C)O1)C)C1(C)C=Cc2cc(O)ccc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.509

InChIKey:
XTVFMVOKSWJIQO-UHFFFAOYSA-N

ID: 137153

SMILES:
C1(CO)=CCC2C3C(c4c(O)cc(CCC)cc4OC2C1O)CC3(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.929

InChIKey:
UFHATZQFTKOLFK-UHFFFAOYSA-N

ID: 137154

SMILES:
c1(CC(C)C(O)=O)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -13.99

InChIKey:
KZFAXZFQKSSQKY-UHFFFAOYSA-N

ID: 137155

SMILES:
CC(c1cc(OC)c2c(c1)OC(CCCC(C)C)(C)C=C2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -14.985

InChIKey:
GQBVMODRZAXQNA-UHFFFAOYSA-N

ID: 137156

SMILES:
O1c2c(CCCC)cc(O)cc2C=CC1(C)CCC(=O)O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -14.041

InChIKey:
LLWDVQZRDIGHFX-UHFFFAOYSA-N

ID: 137157

SMILES:
CC(C1C(c2c(O)cc(CCCCC)cc2O)CC(C(=O)OC)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.811

InChIKey:
PZLUALMMVFJSPI-UHFFFAOYSA-N

ID: 137158

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 137159

SMILES:
C1(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 137160

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 137161

SMILES:
C1CC2C(C)(C)Oc3c(cc(CCCCC)cc3O)CC2C1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -13.99

InChIKey:
OKFSMQCCJGIRNO-UHFFFAOYSA-N

ID: 137162

SMILES:
Cc1cc(O)c(C2(CO)OC2C(CC(C)C)=O)c(O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 280.32

CB1 binding score: -13.765

InChIKey:
KJOWZYFFABGBNT-UHFFFAOYSA-N

ID: 137163

SMILES:
C(c1cc(O)cc2c1OC(C)(C)C1C2C=C(C)CC1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.058

InChIKey:
SYLMJTKDZIFVGB-UHFFFAOYSA-N

ID: 137164

SMILES:
O1C(C)(C)C(O)CC12Oc1cc(CCCCC)cc(OC)c1C1C=C(C(CO)C(C)=C)C(C)CCC1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.731

CB1 binding score: -15.749

InChIKey:
ZCBUNSQXDFTQRJ-UHFFFAOYSA-N

ID: 137165

SMILES:
C(=CCCC(C)=CCc1cc(O)c2c(c1)OC(C)(C)C(O)C2)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -17.299

InChIKey:
NORDFNCVXKIRGX-UHFFFAOYSA-N

ID: 137166

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.388

InChIKey:
ALBSCGOLUWERED-UHFFFAOYSA-N

ID: 137167

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 137168

SMILES:
c1(C)cc(O)c2c(c1CCCC(C)=C)OC(C)(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -14.152

InChIKey:
CEIWRWBMRKMWGE-UHFFFAOYSA-N

ID: 137169

SMILES:
C1=CC(O)(C)CC(c2cc(CCCCC)cc(C3C(C(C)=C)CCC(C)=C3)c2)C(=O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.609

CB1 binding score: -13.08

InChIKey:
BFYVTQLTCLFSRE-UHFFFAOYSA-N

ID: 137170

SMILES:
C(C)(C1CCC(C)=CC1c1c(O)cc(C)cc1)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.801

InChIKey:
MISWBPJELUDMFI-UHFFFAOYSA-N

ID: 137171

SMILES:
c1c(O)c2c(cc1CCCCC)OC(C)(C)C1=C2C(=O)C(C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.419

CB1 binding score: -16.934

InChIKey:
RBOFETJAAOBFKI-UHFFFAOYSA-N

ID: 137172

SMILES:
C=C(C)C(CCC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)O)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -13.117

InChIKey:
NQUGEIWPSQCEDT-UHFFFAOYSA-N

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137152–137172 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