CAS
661-19-8 Purity
≥98.0%
661-19-8 Purity
≥98.0%
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Hypocrellin A
CAS
77029-83-5
Catalog Number
ACM77029835-1
Category
Inhibitors
Molecular Weight
546.53
Molecular Formula
C30H26O10
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Specification
Description
Hypocrellin A, a naturally occurring PKC inhibitor, has many biological and pharmacological properties, such as antitumour, antiviral, antibacterial, and antileishmanial activities. Hypocrellin A is a promising photosensitizer for anticancer photodynamic therapy (PDT).
Synonyms
1H-Cyclohepta[ghi]perylene-5,12-dione,1-acetyl-2,3-dihydro-2,6,11-trihydroxy-4,8,9,13-tetramethoxy-2-methyl-,stereoisomer
IUPAC Name
12-Acetyl-9,13,17-trihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,16,18(23),20-nonaene-7,19-dione
Canonical SMILES
CC(=O)C1C2=C3C4=C(CC1(C)O)C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC
InChI
InChI=1S/C30H26O10/c1-10(31)25-24-22-16-11(9-30(25,2)36)28(39-5)26(34)17-12(32)7-14(37-3)19(21(16)17)20-15(38-4)8-13(33)18(23(20)22)27(35)29(24)40-6/h7-8,25,34-36H,9H2,1-6H3
InChI Key
VANSZAOQCMTTPB-UHFFFAOYSA-N
Boiling Point
922.8±65.0 °C
Melting Point
209-210 °C
Density
1.55±0.1 g/ml
Appearance
Powder
Active Content
95%
Physical State
Solid
pKa
7.03±0.60
What is the molecular formula of 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?
The molecular formula is C7H10N2.
When was the PubChem CID for 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine created and last modified?
The CID was created on 2005-07-11 and last modified on 2023-12-30.
What is the IUPAC name of 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name is 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the InChI key for 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?
The InChI key is YZBDXDPBLIQCJY-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?
The Canonical SMILES representation is C1CN2C=CC=C2CN1.
What is the molecular weight of 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?
The molecular weight is 122.17 g/mol.
How many hydrogen bond donor counts are there in 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?
There is 1 hydrogen bond donor count.
Is 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine a canonicalized compound?
Yes, the compound is canonicalized.
What is the topological polar surface area of 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?
The topological polar surface area is 172.
How many defined atom stereocenter counts are there in 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine?
There are 0 defined atom stereocenter counts.
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