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Molecule Identifiers
Molecular Properties

ID: 53152

SMILES:
CC1(C)C2CCC(C)=CC2c2c(c(O)ccc2O)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.988

InChIKey:
FDECQIAQAVZRFF-UHFFFAOYSA-N

ID: 53153

SMILES:
C1=C(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 53154

SMILES:
C(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC(O)C(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.906

InChIKey:
RBBZKQMFDNGQDQ-UHFFFAOYSA-N

ID: 53155

SMILES:
c1(CC2(O)CC3C(C)(C)C2C3)c(O)c(C(C(C)=CCCC(CC)C)C)cc(O)c1CC=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 536.841

CB1 binding score: -11.176

InChIKey:
FQSOLYDLMRFEKM-UHFFFAOYSA-N

ID: 53156

SMILES:
Oc1c(C(C(C)CC)=O)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.563

InChIKey:
KFHWFLUEGBMEIL-UHFFFAOYSA-N

ID: 53157

SMILES:
CC1(C)CC=C(C)C(O)(Cc2c(O)c(O)cc(CC(OC)C)c2)C1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -16.073

InChIKey:
NVKVKGBNTZWISO-UHFFFAOYSA-N

ID: 53158

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.784

InChIKey:
QPUHYZGLKQWEKI-UHFFFAOYSA-N

ID: 53159

SMILES:
C1(C)=CCCC2(C)Oc3c(c(O)cc(CCC)c3)C(O)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -14.719

InChIKey:
TUEXWFPYUOPIOD-UHFFFAOYSA-N

ID: 53160

SMILES:
C1C23OC2C2c4c(O)cc(CCCCC)cc4OC2(C)CC3C(C(C)C)=CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: -15.631

InChIKey:
AZLZRNWMGDOQSP-UHFFFAOYSA-N

ID: 53161

SMILES:
Oc1ccc(OCCCCCC)c2c1C1C(C(C)(C)O2)CC=C(CO)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -11.554

InChIKey:
HDLZCJJXBMVRQR-UHFFFAOYSA-N

ID: 53162

SMILES:
CCCCCc1c(C(O)=O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 53163

SMILES:
CCCCc1cc(O)c2c(c1O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.858

InChIKey:
FZZAMTZKBOQFCE-UHFFFAOYSA-N

ID: 53164

SMILES:
CC1(C2OOC(C)(C(CCC(=O)c3ccccc3)C)CC2)Oc2cc(C)cc(O)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.537

CB1 binding score: -15.555

InChIKey:
WHMQXCAJEZADQO-UHFFFAOYSA-N

ID: 53165

SMILES:
C(c1c(C=O)c(O)c(CC=C(C)CCC=C(C)C)c(O)c1)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 316.441

CB1 binding score: -19.683

InChIKey:
PLVFSLOPGLUASL-UHFFFAOYSA-N

ID: 53166

SMILES:
Oc1c2c(cc(CCCC)c1)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -19.932

InChIKey:
YRIJETKCLFDWJX-UHFFFAOYSA-N

ID: 53167

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2CC(C)=CC(O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.567

InChIKey:
URRJUSLCXVXZOX-UHFFFAOYSA-N

ID: 53168

SMILES:
C1=C(C)C2C(C(C)(C)Oc3c2c(O)cc(C)c3)C(CC(=CCCC(OC)=O)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -12.341

InChIKey:
VQJZELQGLWTTQH-UHFFFAOYSA-N

ID: 53169

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1c(cc2)C=C(C(C)C)C(O)C1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.543

CB1 binding score: -18.033

InChIKey:
HXJMBAFFRZOEAG-UHFFFAOYSA-N

ID: 53170

SMILES:
C1C(CO)CC2C(C)(C)Oc3cc(O)cc(C)c3CC2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.288

InChIKey:
ZGBNKWCHSVARDU-UHFFFAOYSA-N

ID: 53171

SMILES:
C(CC=C(C)CCC1C(C)(C)O1)C1(C)C=Cc2cc(O)cc(C)c2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.553

InChIKey:
ACVWHKVJGOVUKG-UHFFFAOYSA-N

ID: 53172

SMILES:
C=C1C(=O)C[CH]C(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 395.563

CB1 binding score: -13.878

InChIKey:
BPEIDSBPERYAJP-UHFFFAOYSA-N

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53152–53172 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