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Molecule Identifiers
Molecular Properties

ID: 109831

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CC(O)C(C)=CC21)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -16.583

InChIKey:
HUPQVVUUTJJSDZ-UHFFFAOYSA-N

ID: 109832

SMILES:
CC(=O)OC(C)(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -17.957

InChIKey:
MMOUECRGOJAVPX-UHFFFAOYSA-N

ID: 109833

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 109834

SMILES:
CCC(C(=O)OC1C(O)C2C(C)(C)OC1(C)CC2)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.573

CB1 binding score: -14.557

InChIKey:
WENCQJYJURFUPV-UHFFFAOYSA-N

ID: 109835

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: Not available

InChIKey:
SGSYBBLDIQHUES-UHFFFAOYSA-N

ID: 109836

SMILES:
C(=C(CCCC(O)(C)C)C)Cc1c(O)cc(CCc2ccccc2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -17.011

InChIKey:
UNZYAXFMIZROQJ-UHFFFAOYSA-N

ID: 109837

SMILES:
CCc1cc2c(c(O)c1)C1CC=C(C)C(O)CC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -13.633

InChIKey:
HLBQEGYYZSRERE-UHFFFAOYSA-N

ID: 109838

SMILES:
C1(O)C(C)(C)Oc2cc(C)c(CCCCC)cc2C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.929

InChIKey:
ITLDAWSDOKFEOR-UHFFFAOYSA-N

ID: 109839

SMILES:
C(CCc1cc(O)c2c(c1)OC(CCC=C(C)C)(C)C(C=C)C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.393

InChIKey:
XCPCABMBIIJKMH-UHFFFAOYSA-N

ID: 109840

SMILES:
O=C(C=C(C)C)c1c(O)c2c(c(C(=O)CCCCC)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.581

CB1 binding score: -18.377

InChIKey:
GXILEQHZFDQLAR-UHFFFAOYSA-N

ID: 109841

SMILES:
Cc1ccc(C(CC=C(C)C)=O)cc1OC1(C)Oc2c(c(O)cc(CCCCC)c2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -15.174

InChIKey:
HAYQMDRTXOTUSZ-UHFFFAOYSA-N

ID: 109842

SMILES:
CC(C)C1C2C3(CCC2(O)C)Oc2cc(CCCCC)cc(c23)OC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.015

InChIKey:
MMKPKXRMTDQZHZ-UHFFFAOYSA-N

ID: 109843

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1c2cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.438

InChIKey:
CBEWCUWSPDDHMI-UHFFFAOYSA-N

ID: 109844

SMILES:
CC(C1CCC2(C)C1Cc1c(cc(CCCCC)cc1O)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.583

InChIKey:
BPCSQTQTIGSQEK-UHFFFAOYSA-N

ID: 109845

SMILES:
C1(CCC2(C)Oc3cc(C)cc(OC(=O)C)c3C=C2)C(C)=CCCC1C(=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -14.946

InChIKey:
IFKDFTOIHSTMBT-UHFFFAOYSA-N

ID: 109846

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.618

InChIKey:
BRWDLBFOIVWKDB-UHFFFAOYSA-N

ID: 109847

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 109848

SMILES:
C(CCc1cc2c(c(O)c1)C(O)C1C(C)(CCC(=O)C1(C)C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.7

InChIKey:
SGJYHJKHFLLPCZ-UHFFFAOYSA-N

ID: 109849

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C2C1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.791

InChIKey:
VSQGBNUBIDZRPJ-UHFFFAOYSA-N

ID: 109850

SMILES:
C1CC2(C(=O)c3c(O)c(C(=O)O)c(CCCCC)cc3OC2(C)C)C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -15.562

InChIKey:
GCTYQELJJJYMIB-UHFFFAOYSA-N

ID: 109851

SMILES:
Oc1c(C(O)=O)c(C2C(C(C)=C)CCC(C)=C2)c(OC)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -13.522

InChIKey:
BNFAOXRZVTYWDA-UHFFFAOYSA-N

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109831–109851 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