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Molecule Identifiers
Molecular Properties

ID: 136564

SMILES:
Cc1c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.857

InChIKey:
ADVBWFBGNLNRPY-UHFFFAOYSA-N

ID: 136565

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 136566

SMILES:
O=C(Oc1cc2c(cc1C)OC(C1COC(CCCC(C)(C)O)(C)C1)CC2)CCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.601

CB1 binding score: -16.243

InChIKey:
PGQYZYHFCCKARR-UHFFFAOYSA-N

ID: 136567

SMILES:
CC1(C)Oc2c(C(=O)C(C)C)c(O)cc(O)c2C2C1CCC(CO)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -18.334

InChIKey:
CUCNRHMPQIVVRO-UHFFFAOYSA-N

ID: 136568

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1OC(=O)C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -18.767

InChIKey:
OGCCABVUOZBTQV-UHFFFAOYSA-N

ID: 136569

SMILES:
C(CCCc1ccc(O)c(C2C(C(=C)C)CCC(C)=C2)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.247

InChIKey:
IJXLDZIYGDHKBA-UHFFFAOYSA-N

ID: 136570

SMILES:
Oc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.957

InChIKey:
ZSBGNUPOFUYDMQ-UHFFFAOYSA-N

ID: 136571

SMILES:
O=C(OC1c2c(OC3OC(COC(c4c(O)c(O)c(O)c(O)c4)=O)C(O)C(O)C3O)cc(CCCCC)cc2OC(C)(C)C1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 636.647

CB1 binding score: -15.402

InChIKey:
MQSNPRGJTUMHCD-UHFFFAOYSA-N

ID: 136572

SMILES:
C(C=C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -18.166

InChIKey:
FGEQAFJXCIBXCD-UHFFFAOYSA-N

ID: 136573

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.882

InChIKey:
DNSPTINNDSRBBA-UHFFFAOYSA-N

ID: 136574

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.987

InChIKey:
QYNCMPYNYFYQFE-UHFFFAOYSA-N

ID: 136575

SMILES:
C(Cc1cc(O)c(C2C(C(C)C)CCC(C)=C2)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.479

InChIKey:
QHFVULIOBFWRAD-UHFFFAOYSA-N

ID: 136576

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 136577

SMILES:
O=C1OC(C)(C)C2C(C=C(C)C(O)C2)c2c1cc(CCCCC)cc2OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -16.438

InChIKey:
SIKCNTHGHLBWKQ-UHFFFAOYSA-N

ID: 136578

SMILES:
Oc1cc(C2C=C(C)CCC2C(CCC=C(C)C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -17.473

InChIKey:
LWLJOCKRRWGNCO-UHFFFAOYSA-N

ID: 136579

SMILES:
CC1(C)C2C(O)(Cc3c(cc(CCCCC)cc3O)O2)C(=O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.947

InChIKey:
XVDAJRKYXOBYHF-UHFFFAOYSA-N

ID: 136580

SMILES:
O1c2ccc(O)cc2C2CC(C)=CCC2C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.07

InChIKey:
LIEZPCZOEMYUIR-UHFFFAOYSA-N

ID: 136581

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.609

InChIKey:
HAKUWGCTBUVNJQ-UHFFFAOYSA-N

ID: 136582

SMILES:
C(C)(C)(C1=CC2C(CC=C(C)C)(CC(C)=C1)OC=C2C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.459

CB1 binding score: -15.268

InChIKey:
BIDXSJAARGPCII-UHFFFAOYSA-N

ID: 136583

SMILES:
c1(O)ccc2c(c1)Cc1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -15.58

InChIKey:
BEUYUCXNLQQDBH-UHFFFAOYSA-N

ID: 136584

SMILES:
C(CCCc1cc(O)c(C2C=C(CO)CCC2C(C)=C)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.262

InChIKey:
BZRHNLDERSEVEU-UHFFFAOYSA-N

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136564–136584 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