Eco 4601
1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-11H-benzo[b][1,4]benzodiazepin-6-one
Molecular Identity
Eco 4601
1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-11H-benzo[b][1,4]benzodiazepin-6-one
PubChem CID: 9868980
Diazepinomicin is a dibenzodiazepine with a farnesyl sidechain synthesized by Micromonospora sp.. It has a potent activity against a broad spectrum of tumor cell lines. It has a role as an antioxidant, an antineoplastic agent and a cathepsin L (EC 3.4.22.15) inhibitor. It is a triol, a secondary amine, a farnesane sesquiterpenoid, a dibenzodiazepine and an olefinic compound. It contains a 2-trans,6-trans-farnesyl group.
2D Structure
Properties
C28H34N2O4
Molecular Formula
462.60
Molecular Weight
g/mol
462.2519
Exact Mass
Da
6.7
XLogP
Above Lipinski threshold
93
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
785
Complexity
SMILES
Canonical SMILES
SMILES: CC(=CCCC(=CCCC(=CCN1C2=C(C(=CC(=C2)O)O)NC3=C(C1=O)C=CC=C3O)C)C)CIsomeric SMILES
SMILES: CC(=CCC/C(=C/CC/C(=C/CN1C2=C(C(=CC(=C2)O)O)NC3=C(C1=O)C=CC=C3O)/C)/C)CSynonyms(20)
Diazepinomicin733035-26-2Amo-01YPH994Y0RFECO 4601TLN460111H-Dibenzo(b,E)(1,4)diazepin-11-one, 5,10-dihydro-4,6,8-trihydroxy-10-((2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl)-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-11H-benzo[b][1,4]benzodiazepin-6-oneDTXSID402235391,3,10-trihydroxy-5-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)-11H-benzo(b)(1,4)benzodiazepin-6-oneRefChem:132749DTXCID20146030TLN-4601BU-4664LECO-4601
Data from PubChem (NCBI)
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