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Molecule Identifiers
Molecular Properties

ID: 140575

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CC(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.182

InChIKey:
FNTIUUTYCBPLQO-UHFFFAOYSA-N

ID: 140576

SMILES:
C1(=O)C=C(C)CC1c1c(O)cc(CCCCCO)cc1OC(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -13.449

InChIKey:
RSGICTJRUGHZCF-UHFFFAOYSA-N

ID: 140577

SMILES:
CC1(C)C2C3(C)C(C=CC2C(=O)O1)C(C)=CC(=O)C3O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -16.483

InChIKey:
PGGOHLOYODLLIQ-UHFFFAOYSA-N

ID: 140578

SMILES:
CC(C)C1CCC2(C)Oc3c(c(O)cc(CCCCC)c3)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.583

InChIKey:
BPCSQTQTIGSQEK-UHFFFAOYSA-N

ID: 140579

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 140580

SMILES:
c12cc(C)cc(CCC(C)(O)C)c1C=CC(C)(CCC=C(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.396

InChIKey:
MMAOBKPUJCIREF-UHFFFAOYSA-N

ID: 140581

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 140582

SMILES:
C(CC)CCc1cc(O)c2c(c1O)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.943

InChIKey:
AQFXVBGXHOAFAM-UHFFFAOYSA-N

ID: 140583

SMILES:
c1c(C2C(C(=O)OCCCC)(CC)CCC(C)=C2)c(O)cc(O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.037

InChIKey:
DJWDQAWDQRHPRO-UHFFFAOYSA-N

ID: 140584

SMILES:
C1C2C(C(C)(C)Oc3c2cc(O)c(C)c3)C(C)C1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -14.605

InChIKey:
QKOXJPLDHVCMIA-UHFFFAOYSA-N

ID: 140585

SMILES:
c1(CC2CC=C(C)NC2)cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 353.506

CB1 binding score: Not available

InChIKey:
CSESMDWIFNDKKO-UHFFFAOYSA-N

ID: 140586

SMILES:
Oc1c(CC=C(C)C)c2c(cc1CCCCC)OC(C)(C)C1C(=O)C(O)C3C(C)(C)CCCC(C)C13O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 512.731

CB1 binding score: -16.167

InChIKey:
HMKRCUGANJIJCC-UHFFFAOYSA-N

ID: 140587

SMILES:
c12cccc(O)c1OC(C)(C)C1(O)C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -13.658

InChIKey:
QAKKSVIOPTVDGA-UHFFFAOYSA-N

ID: 140588

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: 140589

SMILES:
C12C(C)(C)OC3=C(C(=O)c4ccc(O)c(O)c4)C(=O)C4(C(C(C)(C)C)C(CC1C)C23)C(CCC(O)(C)C)C4

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 524.698

CB1 binding score: -14.336

InChIKey:
GXWDYQRXICPZFZ-UHFFFAOYSA-N

ID: 140590

SMILES:
c12c(C)ccc(C)c1Cc1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.491

CB1 binding score: -12.769

InChIKey:
DKFDWYZDVMLPSH-UHFFFAOYSA-N

ID: 140591

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -18.089

InChIKey:
YEGPLUNKSKIKNV-UHFFFAOYSA-N

ID: 140592

SMILES:
c1(CC=C(C)CC(C2CC(=O)OC2(C)C)O)cc(O)cc(C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.412

CB1 binding score: -14.461

InChIKey:
QLGSYSHJHNWMDK-UHFFFAOYSA-N

ID: 140593

SMILES:
CC1(C)CCCC(C)C=C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.454

InChIKey:
ANEWWWLEMNGKCK-UHFFFAOYSA-N

ID: 140594

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)(O)CC1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -13.009

InChIKey:
NUSKRTIAWXXSHQ-UHFFFAOYSA-N

ID: 140595

SMILES:
C(C(=CCCC(C)=CCc1c(O)cc(CCCCC)cc1O)C)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

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140575–140595 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