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Molecule Identifiers
Molecular Properties

ID: 122788

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.447

CB1 binding score: -16.615

InChIKey:
GNYDDYAATAGGQG-UHFFFAOYSA-N

ID: 122789

SMILES:
OC(C(=O)CC(c1cc(O)c(C)cc1O)(C)C)CC1=CC23C4(OC5=CC6C(C)(C4(CC2CC(C(C)(C)OC3=O)C6)CC5=O)OC(C)=O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 664.748

CB1 binding score: -15.888

InChIKey:
JFKZAVDRBPVSQZ-UHFFFAOYSA-N

ID: 122790

SMILES:
C(C1(C)CCC(C(C)(O)C)O1)CCC(C)=CCc1cc(O)c(C)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.537

CB1 binding score: -17.713

InChIKey:
GDRHTEBQGGWAJW-UHFFFAOYSA-N

ID: 122791

SMILES:
C(CCCc1cc(OC)c(O)c2c1CCC21CCC(CC)(C)C1=O)C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.203

InChIKey:
GIITVKBNXODRIZ-UHFFFAOYSA-N

ID: 122792

SMILES:
C(C1C(C)(C)OC2CC(=O)OC21C)(C)=CC(=O)CC(=CCc1cc(O)cc(C)c1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.552

CB1 binding score: -13.401

InChIKey:
HGHQVKWKCYLAMR-UHFFFAOYSA-N

ID: 122793

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(CCC1C(C)(OC2)C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.288

InChIKey:
UMDZXUISCMJCJO-UHFFFAOYSA-N

ID: 122794

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCCCC)cc2OC)C=C(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -18.417

InChIKey:
WKNDXJXENAPUOX-UHFFFAOYSA-N

ID: 122795

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 122796

SMILES:
C1(C)=CC2C(C(C)(C)Oc3cc(CCCCC)cc(OC)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 122797

SMILES:
C(Cc1cc(O)c(C=O)c2c1OC(C)(C)C1C2C=C(C)CC1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.934

InChIKey:
ZGGPKHDXAHABTC-UHFFFAOYSA-N

ID: 122798

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.674

InChIKey:
ZEQZOTZRBMXTBF-UHFFFAOYSA-N

ID: 122799

SMILES:
c12c(O)c3c(c(O)c1C=CC(CCC=C(C)C)(C)O2)OC(C)(C)C(O)C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -15.019

InChIKey:
OGNPGKNHFQEZQA-UHFFFAOYSA-N

ID: 122800

SMILES:
OC(C)Cc1cc2c(c(O)c1)C1CC(C)(C)OC1(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -12.641

InChIKey:
SNRXVOROWCSPHD-UHFFFAOYSA-N

ID: 122801

SMILES:
C(CC(O)(C)C1C2c3c(ccc(O)c3)OC(C)(C)C2CC1)C(=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.353

InChIKey:
RCWCTAALNGRRHJ-UHFFFAOYSA-N

ID: 122802

SMILES:
O=C(CC=C(CCC=C(C)C)C)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C=O)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.565

CB1 binding score: -13.474

InChIKey:
QBYJURCUPFHYMR-UHFFFAOYSA-N

ID: 122803

SMILES:
c12c(O)c(C(C)=O)c(C)cc1OC(C)(C)C1C(=O)CC(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.194

InChIKey:
CBQBMLMALWBLLS-UHFFFAOYSA-N

ID: 122804

SMILES:
C1C(C(C)=C)C(c2ccc(CC=C(CCC=C(C)C)C)c(OC)c2)C=C(COC(C)=O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.636

CB1 binding score: -14.638

InChIKey:
LRKXBVRENWESAY-UHFFFAOYSA-N

ID: 122805

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 122806

SMILES:
C(C(C)=CC(=O)CC(C)=CCc1c2ccccc2[nH]c1)C1(C(=O)O)CC2=C(O1)C1C(C(C)(C)Oc3cc(CCCCC)cc(O)c31)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 667.843

CB1 binding score: -14.605

InChIKey:
PDEXNECGCBODNW-UHFFFAOYSA-N

ID: 122807

SMILES:
CC1(C)C=C2C(O)c3c(cc(CCCCC)cc3OC(=O)C)OC2(C)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -14.783

InChIKey:
AKEYOZGFDCWJDN-UHFFFAOYSA-N

ID: 122808

SMILES:
c1c(C)c(C2C(O)C(O)C(O)C2CO)c(O)c2c1OC(CCC(O)(C)C)(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.48

CB1 binding score: -13.415

InChIKey:
KFCHZACRWWTZCK-UHFFFAOYSA-N

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122788–122808 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