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Molecule Identifiers
Molecular Properties

ID: 129277

SMILES:
C(c1c2c(cc(CCCCC)c1)OC(C)(C)C(O)C2O)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.419

CB1 binding score: -16.21

InChIKey:
WWMCUAUOHFOEEE-UHFFFAOYSA-N

ID: 129278

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 129279

SMILES:
C(CCc1cc2c(c(O)c1)C1C(=C(C)C(=O)O1)CCC2C)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.438

InChIKey:
CCBIMHCMOBNHQQ-UHFFFAOYSA-N

ID: 129280

SMILES:
C(CCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.655

InChIKey:
SZHRAJIVTRNORX-UHFFFAOYSA-N

ID: 129281

SMILES:
CC(=CCCC(C)(C(O)Cc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -14.851

InChIKey:
RSXSMLIGOHMXNH-UHFFFAOYSA-N

ID: 129282

SMILES:
COc1c(OC(=O)c2cc(OC)c(OC)cc2O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1CC=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 590.757

CB1 binding score: -13.287

InChIKey:
KIMXXXFQALCZID-UHFFFAOYSA-N

ID: 129283

SMILES:
C1(=O)C(C)=CC2c3c(OC)cc(OC)c(C)c3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.79

InChIKey:
BCCIJMPMAYTGFS-UHFFFAOYSA-N

ID: 129284

SMILES:
C1C(C)(C(=O)OC)C2C(=O)CC(C)(OO)C=C2c2c(O)cc(CCCCC)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.487

CB1 binding score: -14.725

InChIKey:
QNFZWDXMTFKMHX-UHFFFAOYSA-N

ID: 129285

SMILES:
C(O)C1CC(O)C(C(C)=C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.456

CB1 binding score: -17.058

InChIKey:
FBVDWRPMGNFUCD-UHFFFAOYSA-N

ID: 129286

SMILES:
C1CC(C)=CC(c2c(OC)ccc(CCNC)c2)C1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 299.458

CB1 binding score: -18.57

InChIKey:
ZKBBKDQCHSPYPC-UHFFFAOYSA-N

ID: 129287

SMILES:
Oc1c(C)cc(O)cc1CC=C(CC1=CC(C)(C)CCC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.526

InChIKey:
WBVCQVLLEBUUSR-UHFFFAOYSA-N

ID: 129288

SMILES:
C1C(O)C(C)(C)C(Cc2c(O)cc(CCCCC)cc2OC(=O)C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.51

CB1 binding score: -16.62

InChIKey:
HVXGKPDBNCMBPK-UHFFFAOYSA-N

ID: 129289

SMILES:
CC1CC(C)C2c3c(O)cc(CCCCC)cc3OC1(C)CC2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.605

InChIKey:
ZBVMEIUEKZREJY-UHFFFAOYSA-N

ID: 129290

SMILES:
c1c(O)c(C2CC(=C)CCC2C(C)=C)c(OC)cc1CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -14.605

InChIKey:
BDXCSYGKSMKAMT-UHFFFAOYSA-N

ID: 129291

SMILES:
C12C(C)(C)Oc3cc(O)c(CCCCC)cc3C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -16.079

InChIKey:
SINLTOXRWCFJAC-UHFFFAOYSA-N

ID: 129292

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(=C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.055

InChIKey:
AOYYFUGUUIRBML-UHFFFAOYSA-N

ID: 129293

SMILES:
C(C=C(C)C)CC(C)=CCc1c(O)c(C(O)=O)c(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -19.037

InChIKey:
VAFRUJRAAHLCFZ-UHFFFAOYSA-N

ID: 129294

SMILES:
C12C(C)CCC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.029

InChIKey:
HCVJHHUJBXZYBI-UHFFFAOYSA-N

ID: 129295

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 129296

SMILES:
Oc1c2c(c(O)cc1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.145

InChIKey:
YJSPCCRFFZMYHY-UHFFFAOYSA-N

ID: 129297

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(C)CC1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -17.135

InChIKey:
ANOGZAGMSHVDCE-UHFFFAOYSA-N

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129277–129297 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