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Molecule Identifiers
Molecular Properties

ID: 131503

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)c1c-2cc(C)cc1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 268.356

CB1 binding score: -17.555

InChIKey:
QUYCDNSZSMEFBQ-UHFFFAOYSA-N

ID: 131504

SMILES:
C1(C)=CC2(CC1)c1c(cc(C(O)CC)c(C)c1O)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.145

InChIKey:
SSLQTNQQLBYVBV-UHFFFAOYSA-N

ID: 131505

SMILES:
C(CC(=O)OC)Cc1cc2c(c(O)c1)C1C=C(C)C(=O)CC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.434

CB1 binding score: -16.287

InChIKey:
MUBPOCNIVMIXLD-UHFFFAOYSA-N

ID: 131506

SMILES:
C(c1c(O)c2c(cc1)OC(C)(C)C1CC=C(C)CC21)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.527

InChIKey:
URLLKIABTKCJMU-UHFFFAOYSA-N

ID: 131507

SMILES:
C(=CCCC(C)=CCc1c(O)cc(CCCCC)c(C(=O)O)c1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -14.865

InChIKey:
FFROHISECHKEMN-UHFFFAOYSA-N

ID: 131508

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.143

InChIKey:
DUIWSAKEXMMINZ-UHFFFAOYSA-N

ID: 131509

SMILES:
c1(C)cc(O)cc(CCCC(C)CC2CC(=C)CCC2C(C)=C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.524

CB1 binding score: -15.294

InChIKey:
DXLJJBFPJYBARL-UHFFFAOYSA-N

ID: 131510

SMILES:
C(c1cc(O)c(C2C(C(=C)CO)CCC(C)=C2)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.713

InChIKey:
DJLXWMLEIDOZHP-UHFFFAOYSA-N

ID: 131511

SMILES:
Oc1c(C(C)C(OC(=O)C)C(C=C(C)O)CCC)c(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 488.621

CB1 binding score: -14.676

InChIKey:
ACQWWFBIZJAHJO-UHFFFAOYSA-N

ID: 131512

SMILES:
C1C2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC(C(=O)OC)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -18.703

InChIKey:
ODGYRHKHFGCIRR-UHFFFAOYSA-N

ID: 131513

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2CC(C)=CC(=O)C2(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.239

InChIKey:
YMZQCODVRYQPCJ-UHFFFAOYSA-N

ID: 131514

SMILES:
c1c(C=O)c(O)c(OC)c(OC)c1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -13.521

InChIKey:
WRQQBXYYOHCBJG-UHFFFAOYSA-N

ID: 131515

SMILES:
C(c1ccc2c(c1)OC(C)(C)C1CCC(C)=CC12)CC(=O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.998

InChIKey:
IPVHNDAOBQGUML-UHFFFAOYSA-N

ID: 131516

SMILES:
CC(C(=O)c1c(O)c2c(c(O)c1)OC(C)(C)C1C2CC(CO)=CC1)CC=CC(OC)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.568

CB1 binding score: -17.788

InChIKey:
JIZYEDSRBCRDSZ-UHFFFAOYSA-N

ID: 131517

SMILES:
CC1(C)Oc2c(c(O)cc(C(C(OC(C)=O)C(CC)C)=O)c2)CC1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.411

CB1 binding score: -15.094

InChIKey:
AJCRMKUFEPNWPT-UHFFFAOYSA-N

ID: 131518

SMILES:
Oc1c(CC2C(C)=CCCC2C)c(O)cc(CCCCC)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -15.537

InChIKey:
KHSLZBBEZIATFG-UHFFFAOYSA-N

ID: 131519

SMILES:
C(C)CCCCc1cc2c(c(O)c1)C1C(CC(=O)C1=C)C1(C)C2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -16.502

InChIKey:
MLKHEXLHVVSRBL-UHFFFAOYSA-N

ID: 131520

SMILES:
CC12CC(=C3C(C)(C)Oc4cc(CCCCC)cc(O)c4C13)C(OC)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.929

InChIKey:
RLVLJTZQSQTRKL-UHFFFAOYSA-N

ID: 131521

SMILES:
c1(CC=C(CCC=C(C)C)C)c(OC(=O)C)cc(CCCCC)cc1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -17.009

InChIKey:
CQXYYVMHDFTWJQ-UHFFFAOYSA-N

ID: 131522

SMILES:
CC(C(=O)CC=C(C)C)=CCc1c(O)cc(CCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.868

InChIKey:
RTUGAKRHYRTHSK-UHFFFAOYSA-N

ID: 131523

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -18.173

InChIKey:
QDFNZYRPLNNGTF-UHFFFAOYSA-N

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131503–131523 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