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Molecule Identifiers
Molecular Properties

ID: 65038

SMILES:
c1(CC(C)=CCc2occc2C)cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.54

CB1 binding score: -14.041

InChIKey:
RUSMBWQEILZZTC-UHFFFAOYSA-N

ID: 65039

SMILES:
C(CCC)Cc1ccc(O)c(C2C=C(C)CCC=C(C)C2CCC(C)=CCO)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -15.012

InChIKey:
YTISPSZAJKXGER-UHFFFAOYSA-N

ID: 65040

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

ID: 65041

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.707

InChIKey:
OGXXAQFMAFTSRU-UHFFFAOYSA-N

ID: 65042

SMILES:
C1(C)=CC2C(=CC(C)(C)C2O)C(OC)(c2c(O)cc(CCCCC)cc2O)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -16.361

InChIKey:
PFJZSZFQVLTHSW-UHFFFAOYSA-N

ID: 65043

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 65044

SMILES:
CC1=CC2C(C(C)(C)Oc3c(C)cc(O)cc32)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.472

InChIKey:
MRMJKDJYMLWPGM-UHFFFAOYSA-N

ID: 65045

SMILES:
C1CC2(c3c(cc(CCCCC)cc3O)OC2C=C(C)C)CC1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -12.497

InChIKey:
YBAOLRWCNQEWOM-UHFFFAOYSA-N

ID: 65046

SMILES:
Oc1c(C2C=C(C)CCC2C(=C)C)c(O)cc(CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 65047

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 65048

SMILES:
c1c(CCCCC)cc(O)c2c1OC1C(O)C3OC(=O)C(C)=C3C(O)CC3CC(C1=O)C2(C)C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 470.562

CB1 binding score: -15.929

InChIKey:
VNXQQBMICLRLQK-UHFFFAOYSA-N

ID: 65049

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -17.813

InChIKey:
KKVTXJLSWQRXEO-UHFFFAOYSA-N

ID: 65050

SMILES:
CC1=CCC2C(C1)c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 65051

SMILES:
Oc1cc(CCCCC)cc(O)c1-c1cc2c(c(C(C(O)C(C)C)=O)c1O)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.682

CB1 binding score: -11.868

InChIKey:
IDMKOLXTZUVRJN-UHFFFAOYSA-N

ID: 65052

SMILES:
C1(C)=CC(c2cc(CCCCC)ccc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.247

InChIKey:
IJXLDZIYGDHKBA-UHFFFAOYSA-N

ID: 65053

SMILES:
c12c(c(CCCCC)cc(O)c1)OC(C)(C)C1C2C(O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.597

InChIKey:
IIJSXNNAJMFWLD-UHFFFAOYSA-N

ID: 65054

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(O)(C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -19.298

InChIKey:
TZGCTXUTNDNTTE-UHFFFAOYSA-N

ID: 65055

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(=C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.729

InChIKey:
VHYDABIFTJKCRR-UHFFFAOYSA-N

ID: 65056

SMILES:
C(=O)(C)OC1C(=C)C2=C(C(C)(C)Oc3cc(CCC)cc(O)c32)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -15.132

InChIKey:
PNLXIQQEHCDSAV-UHFFFAOYSA-N

ID: 65057

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.184

InChIKey:
ZKGKOAJUWMGRFB-UHFFFAOYSA-N

ID: 65058

SMILES:
C(CCCc1cc2c(c(O)c1)C1=C(CC(C)(C)OC1(C)C)C2=O)CC

Pathway: Polyketides;Terpenoids

Superclass: Naphthalenes;Meroterpenoids

Class: Cannabinoids;Naphthoquinones

MW: 342.479

CB1 binding score: -15.604

InChIKey:
PKMQJXIUWPWQMF-UHFFFAOYSA-N

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65038–65058 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