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Molecule Identifiers
Molecular Properties

ID: 141310

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.563

InChIKey:
CODIXLGYYWMJFS-UHFFFAOYSA-N

ID: 141311

SMILES:
NC1(C(C)=C)C(c2c(O)cc(CCC)cc2O)C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 301.43

CB1 binding score: -15.056

InChIKey:
OGVDSGRFKOUVLJ-UHFFFAOYSA-N

ID: 141312

SMILES:
C12C(C=CC(C=O)=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -16.974

InChIKey:
BVONMZQAQKRPNW-UHFFFAOYSA-N

ID: 141313

SMILES:
CC(=O)OC(C)C1(O)CCC(C(=O)O)=CC1c1c(OC)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.529

CB1 binding score: -13.59

InChIKey:
WFLDXTMCQOXVOL-UHFFFAOYSA-N

ID: 141314

SMILES:
C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 141315

SMILES:
c1(C(C)C)cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.801

InChIKey:
SJOXUXLDTWWKMZ-UHFFFAOYSA-N

ID: 141316

SMILES:
CC1=CC(c2c(O)cc(O)cc2CCCC)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.773

InChIKey:
GVVMQETWTXZBJQ-UHFFFAOYSA-N

ID: 141317

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(CC=C(C)C2)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 141318

SMILES:
C(CCC)c1cc(O)c2c(c1)OC(C)(C)C1=C2C(O)C(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -17.168

InChIKey:
PXESYMJXKGDOTG-UHFFFAOYSA-N

ID: 141319

SMILES:
c12c(c(O)cc(CCCCC)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: 141320

SMILES:
c1ccc(O)cc1C1C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.81

InChIKey:
RLNFSWIFLYYPPU-UHFFFAOYSA-N

ID: 141321

SMILES:
C(C)CCc1c(OC)cc2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.412

InChIKey:
GQOOEDDQEVXMGE-UHFFFAOYSA-N

ID: 141322

SMILES:
C=C(C)C1C(c2c(O)cc(O)cc2CC=C(C)C)CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -18.491

InChIKey:
ZTWUDKPECJJOCJ-UHFFFAOYSA-N

ID: 141323

SMILES:
C12CC(C(C(CO)=O)C(C(CC)C)=O)C(O)C1C(CC(C)C)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.746

CB1 binding score: -15.15

InChIKey:
VNHHERVTSMSSKU-UHFFFAOYSA-N

ID: 141324

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.76

InChIKey:
INGQGHSGNLGKCN-UHFFFAOYSA-N

ID: 141325

SMILES:
CC(=O)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(COC)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.42

InChIKey:
MORBBICQCDPXET-UHFFFAOYSA-N

ID: 141326

SMILES:
C1(=C)C(=O)OC2C3C(C)(Oc4cc(CCCCC)cc(O)c43)CCC12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -16.608

InChIKey:
MSEOYZHUSSVVGL-UHFFFAOYSA-N

ID: 141327

SMILES:
C(O)(C)(C(CCC(=CCCC1(C)C=Cc2c(O)cc(C)cc2O1)O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.605

InChIKey:
NKQNMYNUHIPGOX-UHFFFAOYSA-N

ID: 141328

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)C1)C(CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -16.918

InChIKey:
ZZZLFSQJHPGLKZ-UHFFFAOYSA-N

ID: 141329

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 141330

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.385

InChIKey:
YYLPAYRRVSQJRR-UHFFFAOYSA-N

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141310–141330 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